data_6i57_residue ############################ # Computer software used # ############################ 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 6i57 _Structure_validation_residue.Date_analyzed 2019-05-31 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 ' 623' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.8 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.195 0.521 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -68.78 -41.42 78.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.709 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.11 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.417 ' CB ' ' HG ' ' A' ' 649' ' ' CYS . 44.7 mt -62.55 -38.73 91.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.21 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.245 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.29 -50.55 71.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.51 -34.32 77.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.919 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -60.82 -42.7 99.63 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.486 173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.25 -35.78 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 110.554 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 642' ' ' ALA . 45.7 m -60.09 -36.49 77.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.767 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 630' ' ' GLY . 94.5 t -63.71 -45.07 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -71.75 -27.8 63.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 110.828 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.98 -6.81 58.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.287 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 66.97 23.98 9.7 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.16 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -107.2 70.94 0.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -73.1 -26.43 61.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.181 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -65.77 -30.01 70.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.85 -34.09 30.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 633' ' ' CYS . . . -58.05 -38.95 77.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.0 mt -52.52 -48.46 66.02 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.517 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.3 m -59.42 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.989 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -58.11 -51.3 70.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.3 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 53.1 m -71.14 -28.56 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.249 -0.282 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.23 -31.09 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.038 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.515 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.9 m -62.44 -36.12 81.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.11 174.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 89.4 mt -72.62 -10.84 60.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.396 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -82.24 -27.61 32.36 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.201 0.524 . . . . 0.0 109.816 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.7 mt -92.46 -50.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.143 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -149.72 124.29 9.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -111.21 18.82 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.318 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -101.68 11.82 38.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.058 0.456 . . . . 0.0 110.734 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . 0.489 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.0 tp10 -104.25 98.48 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.492 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.38 -21.23 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.895 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.77 79.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.898 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.489 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.5 mm -66.05 -48.57 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.89 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.404 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 72.6 m-85 -64.06 -47.22 81.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.653 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.3 p -61.83 -38.62 88.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.695 0.283 . . . . 0.0 111.484 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -80.13 -29.97 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.55 0.214 . . . . 0.0 111.082 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.6 ttp180 -68.56 -39.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.92 92.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.65 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' A' ' 669' ' ' LYS . 54.3 tp -58.83 -43.68 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.3 -38.53 89.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.623 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . 0.404 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 14.8 m-85 -63.98 -42.85 97.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.94 -35.56 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 665' ' ' LEU . 31.2 mmmt -76.75 -19.59 57.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.66 12.67 35.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.347 . . . . 0.0 110.412 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.4 m 63.69 21.05 12.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.651 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 50.6 mt-30 -94.01 72.89 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 109.701 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . 0.444 ' O ' ' HB1' ' A' ' 700' ' ' ALA . 45.2 m-85 -71.57 -39.66 70.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.216 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.65 -37.84 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.938 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.11 -47.41 65.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.211 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.642 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.503 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -56.66 -44.66 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -71.19 -40.07 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.999 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -62.17 -40.42 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.692 176.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.4 -36.44 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.813 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.2 t70 -66.76 -42.42 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.112 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.3 mm100 -59.12 -35.37 73.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.75 82.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.894 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 52.3 mt -70.72 -29.21 65.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 80.0 mt-30 -61.74 -30.78 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.403 . . . . 0.0 110.336 174.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 41.9 mt -86.92 -45.9 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.287 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.71 103.45 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.954 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.22 90.93 4.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 139.41 12.16 0.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.773 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.4 106.28 10.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.485 HG12 HG11 ' A' ' 717' ' ' VAL . 63.8 t -59.7 -36.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.432 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.62 -37.91 79.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.56 71.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.986 -177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -67.3 -50.85 58.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.053 0.454 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.575 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 88.0 t80 -59.1 -45.87 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.261 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -77.26 -22.95 51.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -72.17 -39.83 68.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.512 175.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 68.4 mt -63.53 -43.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.826 175.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 673' ' ' PHE . . . -61.25 -50.19 74.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.903 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.503 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 42.0 m-70 -59.64 -42.23 92.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.94 -43.34 86.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.389 . . . . 0.0 110.262 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.83 74.36 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.517 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.12 9.24 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.047 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 66.21 23.11 10.92 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.212 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.58 78.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -79.68 -35.78 38.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.335 -170.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.469 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.8 tp-100 -65.08 -42.06 94.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.73 -45.42 89.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.173 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 32.0 t -61.94 -41.47 98.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.078 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.94 -33.47 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.291 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 708' ' ' GLN . 77.9 mt -62.67 -39.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.445 ' O ' HG21 ' A' ' 717' ' ' VAL . 44.1 m-20 -78.85 -35.49 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.512 ' O ' HG12 ' A' ' 718' ' ' ILE . 89.2 mt -66.59 -49.15 67.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.669 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 31.8 m-80 -57.89 -38.45 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.712 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -61.3 -40.67 95.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.493 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.485 HG11 HG12 ' A' ' 691' ' ' VAL . 72.8 t -61.63 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.0 mm -63.82 -31.17 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 44.2 mt -74.89 -39.89 61.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 110.551 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.66 -47.96 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.222 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -141.93 86.44 10.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.637 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.15 10.04 2.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.757 2.304 . . . . 0.0 112.307 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 41.2 t -94.41 -6.53 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.723 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.9 mt -82.19 105.02 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.341 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.35 -36.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.602 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 10.0 mm-40 -56.95 -41.36 78.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.669 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.404 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.39 -32.31 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -67.85 -25.57 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.316 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.2 mmt -85.64 -24.0 27.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.394 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 13.1 mm-40 -79.73 -49.13 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -175.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -68.07 -21.83 64.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.916 -175.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 7.6 pt-20 -77.64 -34.51 53.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -75.1 -50.03 17.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.897 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.489 ' HA ' HD11 ' A' ' 737' ' ' LEU . 98.6 t -62.19 -31.28 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.376 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 63.5 m -66.47 -32.66 74.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.848 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 20.9 mtm180 -74.11 -38.32 63.87 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' A' ' 734' ' ' VAL . 73.2 mt -61.3 -43.63 98.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.258 174.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.04 -31.52 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.979 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.3 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.071 0.462 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.79 -40.44 95.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.386 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -76.07 -40.93 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.455 ' CB ' ' HG ' ' A' ' 649' ' ' CYS . 96.0 mt -65.36 -35.18 80.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.303 . . . . 0.0 110.474 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.94 -51.59 68.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.53 -28.72 67.24 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -57.74 -55.97 27.92 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.456 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -57.88 -41.25 94.07 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.976 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.855 0.36 . . . . 0.0 110.768 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.07 -42.34 97.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.907 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -64.29 -36.5 84.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.427 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 630' ' ' GLY . 82.5 t -62.77 -45.43 98.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.079 0.466 . . . . 0.0 110.709 177.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -77.87 -11.87 59.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.811 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.96 -7.5 51.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.122 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 67.46 27.26 8.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.767 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -111.8 68.97 0.68 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.439 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -71.25 -28.94 64.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.7 -169.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -61.36 -37.32 82.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 0.0 110.571 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 19.6 t70 -79.15 -32.86 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.0 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.794 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.1 mt -56.44 -43.27 79.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 174.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 20.2 m -62.93 -32.66 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.151 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 32.4 mmtp -85.88 -45.92 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.223 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.76 -36.63 84.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -66.22 -30.89 71.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -74.07 -28.36 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.9 m -61.05 -48.45 81.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.057 0.456 . . . . 0.0 110.202 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 653' ' ' ASN . 90.6 mt -60.86 -32.82 72.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.308 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -62.88 -25.03 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.31 0.576 . . . . 0.0 110.441 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.4 mt -89.35 -52.61 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.895 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 650' ' ' LEU . 41.3 t30 -135.44 119.15 17.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.615 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.07 4.13 41.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.568 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.44 14.22 30.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.429 -177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . 0.406 ' HG3' HG12 ' A' ' 659' ' ' ILE . 8.9 tp10 -105.43 102.59 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.674 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 16.9 p -63.64 -27.91 69.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.877 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.07 71.65 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 120.772 0.32 . . . . 0.0 111.374 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' A' ' 656' ' ' GLU . 49.8 mm -69.2 -44.71 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.387 . . . . 0.0 110.09 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 69.1 m-85 -63.39 -45.6 90.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.424 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 2.0 p -61.99 -34.14 75.62 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 111.099 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -75.25 -40.36 58.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -62.49 -41.85 99.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.666 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -54.99 -46.67 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.81 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.04 -40.93 91.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.5 m -65.19 -48.9 71.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.642 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.42 -36.16 68.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.9 mt -60.52 -31.07 70.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 74.9 mmtt -84.59 -23.33 29.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.136 -177.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.61 6.68 47.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 63.0 m 64.89 24.66 12.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.707 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -96.54 62.86 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.27 -36.11 83.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.109 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.36 -38.5 87.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.397 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.69 -39.43 67.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.62 96.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.512 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 28.9 ttmt -53.95 -43.56 69.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.584 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -68.04 -45.42 73.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.236 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -60.27 -42.31 95.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.186 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.8 m -60.8 -36.76 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.848 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 30.0 t70 -70.97 -41.84 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.4 mm100 -57.25 -38.17 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.328 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.52 87.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.843 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 65.7 mt -71.48 -31.66 67.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.373 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.0 mt-30 -62.47 -35.11 78.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.0 110.387 176.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.4 mt -85.51 -39.5 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -123.43 104.5 9.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 111.331 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.51 93.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.314 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 121.9 23.74 2.43 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.959 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.83 100.46 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.507 HG13 HG11 ' A' ' 717' ' ' VAL . 98.8 t -54.16 -40.04 45.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.396 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -59.37 -35.83 74.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.871 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.8 67.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.15 -47.84 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.079 0.466 . . . . 0.0 110.347 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.564 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.9 t80 -60.58 -41.62 95.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.063 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -68.74 -35.99 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -67.19 -39.58 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 110.103 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.3 mt -65.96 -36.33 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 110.247 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.05 53.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.512 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 55.7 m-70 -60.44 -37.27 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.44 -44.93 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.72 -23.51 77.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.757 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -91.95 8.17 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.674 0.273 . . . . 0.0 110.789 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 61.64 29.25 18.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.101 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -100.95 63.18 1.01 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -72.0 -28.37 63.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.852 -171.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.99 -33.28 75.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 0.0 109.603 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -79.6 -42.28 25.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.504 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -61.61 -40.93 96.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.178 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.81 -31.24 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.35 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.77 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 0.0 110.182 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.433 ' O ' HG21 ' A' ' 717' ' ' VAL . 35.7 m-20 -77.77 -34.67 52.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.686 -176.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.594 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.6 mt -66.03 -47.68 73.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.335 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.629 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.7 m-80 -60.83 -36.76 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.481 174.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -60.68 -44.89 95.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.507 HG11 HG13 ' A' ' 691' ' ' VAL . 70.0 t -60.45 -36.75 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.915 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.594 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.5 mm -66.27 -30.89 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.519 . . . . 0.0 110.616 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 54.8 mt -75.41 -32.31 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 0.0 110.745 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.16 -49.47 8.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.343 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . 0.424 ' OD2' HG23 ' A' ' 691' ' ' VAL . 3.4 m-20 -137.5 86.71 18.71 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.693 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.44 5.82 3.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.741 2.294 . . . . 0.0 112.43 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.8 p -96.07 5.81 50.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.159 0.504 . . . . 0.0 110.829 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 727' ' ' ALA . 20.9 mt -93.46 100.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.95 -38.25 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -52.69 -46.2 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.448 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -74.09 -27.58 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 27.2 mtpp -78.14 -21.27 50.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.279 0.561 . . . . 0.0 110.194 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 729' ' ' MET . . . . . 0.599 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.4 mmt -87.06 -35.58 18.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.362 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 734' ' ' VAL . 16.3 mm-40 -65.89 -51.47 58.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.898 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.906 -174.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -77.29 -28.41 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 0.0 109.994 -179.571 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.441 ' HA ' ' NH2' ' A' ' 736' ' ' ARG . 36.1 tt0 -78.15 -47.11 18.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.85 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' A' ' 737' ' ' LEU . 78.3 t -60.53 -32.67 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.374 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.8 m -62.59 -38.72 91.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.703 0.287 . . . . 0.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.441 ' NH2' ' HA ' ' A' ' 733' ' ' GLU . 44.4 mtm105 -75.66 -38.1 59.07 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 734' ' ' VAL . 84.0 mt -59.32 -42.49 91.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.475 174.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.15 -27.92 68.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.876 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.672 -178.871 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 88.9 t80 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.964 0.412 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 27.4 mtpp -61.38 -51.15 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.652 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.44 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.299 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.34 -39.26 93.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.05 -50.96 62.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.377 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 72.3 mt-10 -59.01 -58.38 8.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.56 -27.4 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.31 . . . . 0.0 110.752 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -61.26 -46.76 93.8 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.287 173.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -63.6 -36.55 84.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.788 0.328 . . . . 0.0 110.456 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -47.87 83.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.41 -40.15 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.0 t -58.55 -48.9 84.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.341 . . . . 0.0 110.605 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 637' ' ' LYS . 32.4 t70 -78.59 -9.03 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . 0.505 ' HZ2' ' HB2' ' A' ' 637' ' ' LYS . 8.5 mtmp? 70.9 30.81 2.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.292 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -107.96 67.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.21 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.558 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 81.4 m-85 -70.25 -27.18 64.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.72 -173.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.762 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . 0.463 ' CG ' ' HZ3' ' A' ' 645' ' ' LYS . 34.0 t70 -77.96 -32.37 51.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.182 0.515 . . . . 0.0 110.22 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.95 82.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.509 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.5 mt -53.25 -45.75 68.91 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.648 175.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 10.4 m -57.56 -53.88 53.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.592 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.463 ' HZ3' ' CG ' ' A' ' 641' ' ' ASP . 14.1 mptt -54.92 -48.6 72.9 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.863 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -69.05 -33.99 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.667 -176.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 45.5 m -67.01 -34.04 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 0.0 110.238 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.92 -31.46 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.483 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 71.9 m -60.42 -46.52 89.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.29 -35.58 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.069 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.41 -21.14 66.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.22 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 26.4 mt -99.6 -39.92 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 39.9 t30 -149.21 117.67 6.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -97.74 -0.41 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . 0.481 ' C ' HD12 ' A' ' 686' ' ' LEU . 20.6 tptm -88.43 -11.4 46.12 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 121.182 0.515 . . . . 0.0 111.407 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -79.95 94.6 5.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.659 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 30.6 p -60.73 -26.62 67.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.691 0.281 . . . . 0.0 111.371 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.28 65.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.739 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.4 mm -79.8 -44.48 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.03 0.443 . . . . 0.0 109.832 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.401 ' HB2' ' HB3' ' A' ' 683' ' ' ALA . 96.0 m-85 -62.83 -42.98 99.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.001 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 19.0 p -61.56 -38.54 87.85 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.282 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -76.39 -35.26 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -61.37 -45.33 94.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.52 -48.77 74.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.986 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . 0.43 HD12 ' CZ ' ' A' ' 696' ' ' ARG . 57.0 tp -56.75 -43.25 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 177.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 81.8 m -65.26 -46.18 81.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.747 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.28 -36.04 74.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.108 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.3 mt -60.16 -31.02 69.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.988 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.98 -30.03 35.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.278 -176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.67 17.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.5 m 59.49 35.32 22.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.516 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -109.06 62.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.314 0.578 . . . . 0.0 109.506 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -64.65 -36.38 84.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.719 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.17 -37.4 82.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.365 0.603 . . . . 0.0 110.097 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.0 -42.46 60.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.286 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.87 94.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.466 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.9 ttmt -50.2 -51.34 44.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.676 -175.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -39.28 94.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.24 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 60.4 m -62.21 -42.3 99.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.1 t70 -64.56 -43.57 93.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.557 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 0.0 OUTLIER -58.38 -38.48 77.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.739 176.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 660' ' ' TYR . . . -64.09 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 176.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.49 -29.23 64.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.245 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 17.9 mm-40 -64.2 -37.62 88.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.887 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.0 mt -82.71 -40.99 19.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.705 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 104.31 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.473 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.3 89.19 5.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.14 21.35 1.08 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.994 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -79.46 103.39 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.533 HG11 HG12 ' A' ' 717' ' ' VAL . 84.5 t -55.75 -41.04 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.476 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 30.9 mmtp -65.42 -34.66 78.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.98 -46.45 81.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.22 0.534 . . . . 0.0 110.058 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.574 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 40.6 t80 -62.87 -40.96 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -176.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -66.96 -40.28 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.599 0.237 . . . . 0.0 110.741 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 39.4 ttp180 -67.76 -40.51 84.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.704 0.288 . . . . 0.0 110.415 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -57.59 -44.38 85.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.037 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 89.0 mt -63.99 -39.15 93.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.32 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.789 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.466 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 68.9 m-70 -58.31 -41.56 84.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -56.06 -43.88 78.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.446 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.35 -29.71 73.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.334 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.57 6.58 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.612 0.244 . . . . 0.0 110.908 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 66.92 20.59 10.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.006 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -93.57 66.34 3.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -72.5 -31.67 65.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.997 -171.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -67.16 -35.32 79.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.191 0.519 . . . . 0.0 109.814 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -75.57 -38.65 59.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.386 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -65.08 -42.1 94.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.161 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.321 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.38 -40.54 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.865 0.364 . . . . 0.0 110.578 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -83.68 -32.94 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.372 . . . . 0.0 111.046 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.63 -48.35 67.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.634 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.0 m-80 -60.1 -29.48 68.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.546 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -68.41 -47.54 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.533 HG12 HG11 ' A' ' 691' ' ' VAL . 81.8 t -58.75 -35.87 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.673 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.5 mm -60.65 -28.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.918 178.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 56.4 mt -86.57 -36.55 18.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.977 0.418 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.9 mt -74.33 -40.92 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.97 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.77 93.98 3.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.052 0.453 . . . . 0.0 110.301 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.13 8.12 2.99 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 112.586 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 1.2 m -90.12 -6.95 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.264 0.554 . . . . 0.0 109.662 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.428 HG21 ' H ' ' A' ' 727' ' ' ALA . 14.2 mt -85.6 98.37 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.308 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.35 -33.79 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.198 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 16.7 mm-40 -55.29 -41.27 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.428 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.664 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -74.75 -28.31 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.911 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.02 -22.64 36.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.617 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.422 ' O ' HG21 ' A' ' 734' ' ' VAL . 60.0 mm-40 -79.31 -55.98 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.42 -26.01 67.78 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.163 -173.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.523 ' N ' HD13 ' A' ' 731' ' ' LEU . 7.8 pt-20 -70.26 -37.09 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.201 0.524 . . . . 0.0 109.781 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 5.3 tp10 -80.38 -44.37 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.495 ' HA ' HD13 ' A' ' 737' ' ' LEU . 93.0 t -61.23 -35.96 69.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.199 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 45.8 m -65.76 -32.37 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 43.6 mtm-85 -79.83 -33.0 40.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.331 0.586 . . . . 0.0 109.489 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 734' ' ' VAL . 87.4 mt -66.08 -41.42 90.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.234 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.53 -31.26 72.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.716 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.126 0.489 . . . . 0.0 111.063 179.711 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 77.5 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.16 0.505 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -66.72 -38.99 87.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.9 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . 0.489 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -76.08 -40.69 52.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.25 -36.71 82.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.309 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.35 -51.76 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.724 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 625' ' ' ALA . 12.3 pt-20 -68.87 -38.5 79.76 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.263 -175.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.87 -35.48 74.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.321 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.06 -39.59 97.32 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.11 -36.28 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.9 mm-40 -63.14 -35.8 81.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.79 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 57.9 m -63.61 -48.25 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.65 -42.0 94.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 120.977 0.417 . . . . 0.0 110.603 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.69 -37.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.791 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.98 -6.13 56.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm 68.68 32.45 4.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.651 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.41 81.55 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.994 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.462 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 53.0 m-85 -80.91 -31.55 35.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.466 -168.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -64.41 -29.86 70.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.36 -38.04 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.191 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.76 -36.75 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.098 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.5 mt -52.01 -51.68 55.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.866 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 36.0 t -63.94 -40.76 97.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -65.33 -43.78 89.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -71.53 -28.4 63.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.639 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.2 t -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.525 . . . . 0.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.3 mm-40 -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.335 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.1 m -67.78 -46.13 72.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.408 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.24 -32.07 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.534 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -62.16 -24.43 67.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.842 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 25.8 mt -97.03 -47.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -142.95 123.07 13.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.538 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.78 1.63 27.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -106.21 24.36 12.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.279 0.561 . . . . 0.0 110.97 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . 0.454 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.9 tp10 -105.08 102.66 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 27.3 p -63.17 -24.79 68.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.42 -34.32 76.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.118 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -69.63 -46.89 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.216 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.645 ' CE1' ' HG2' ' A' ' 682' ' ' GLN . 86.8 m-85 -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.642 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.7 p -59.78 -43.77 94.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -74.48 -33.62 62.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.9 ttp180 -65.92 -43.7 87.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.569 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.9 -40.47 93.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.82 -39.78 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.544 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 62.7 m -68.62 -45.78 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.663 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.93 -38.05 72.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.551 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.3 mt -56.28 -40.72 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -71.61 -35.01 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.49 11.4 8.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.753 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 82.6 m 61.25 31.32 19.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.639 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -106.49 64.16 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.502 0.667 . . . . 0.0 109.384 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -66.61 -32.77 74.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.244 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.03 -40.38 89.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.77 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.94 -36.98 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.395 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.45 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -55.75 -48.97 74.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -67.5 -33.79 75.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.597 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.766 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 66.0 m -60.7 -39.49 88.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.1 t70 -63.91 -43.19 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.72 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.645 ' HG2' ' CE1' ' A' ' 660' ' ' TYR . 5.9 tp-100 -61.99 -47.82 83.09 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 123.38 0.672 . . . . 0.0 110.58 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.78 -38.91 64.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.074 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.89 -28.32 60.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.917 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -66.49 -31.47 72.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 109.93 174.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 20.9 mt -87.44 -43.69 11.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.258 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -119.43 103.85 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.241 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.88 87.33 4.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.903 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 129.69 26.17 0.88 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.27 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -83.1 105.91 14.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.515 HG13 HG12 ' A' ' 717' ' ' VAL . 88.6 t -56.56 -42.81 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.866 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.52 -35.16 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -69.09 -39.97 78.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.844 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.213 0.53 . . . . 0.0 110.177 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -59.21 -43.86 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.434 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.77 -25.71 44.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.263 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -68.07 -39.84 82.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.757 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.36 -38.89 92.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.161 0.505 . . . . 0.0 110.255 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.77 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -61.45 -39.25 90.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -56.07 -45.66 79.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.127 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.27 -21.39 75.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.79 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.94 9.61 41.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 707' ' ' TYR . 29.6 mtpp 62.9 24.0 14.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.684 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.95 69.29 3.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 705' ' ' LYS . 37.2 m-85 -76.1 -31.8 58.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.635 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -64.33 -31.28 72.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.177 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -83.37 -42.97 16.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.734 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -60.43 -41.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.345 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.17 -31.6 70.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -44.07 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.899 0.38 . . . . 0.0 110.226 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.31 -35.97 63.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.708 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.7 mt -65.7 -46.84 77.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.534 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.55 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 21.2 m-80 -61.21 -35.93 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.515 HG12 HG13 ' A' ' 691' ' ' VAL . 84.3 t -60.33 -36.4 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.643 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.6 mm -64.24 -29.15 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.521 . . . . 0.0 110.574 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.6 mt -79.77 -38.41 33.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.73 -45.96 27.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.137 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.83 89.93 7.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.77 8.43 3.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.91 2.407 . . . . 0.0 113.155 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -100.07 0.23 40.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.21 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.453 HG21 ' H ' ' A' ' 727' ' ' ALA . 18.6 mt -83.88 103.01 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.179 0.514 . . . . 0.0 110.446 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.1 -33.8 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.352 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 31.9 mt-10 -55.08 -49.38 71.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.754 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.453 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -66.91 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -69.09 -31.75 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.548 . . . . 0.0 110.281 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.2 mmt -85.83 -27.86 24.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.81 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -75.43 -48.36 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.631 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -30.0 70.44 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.007 -174.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.1 pt-20 -68.91 -39.35 79.73 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 7.8 tp10 -69.94 -46.19 65.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.47 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.481 ' HA ' HD11 ' A' ' 737' ' ' LEU . 80.5 t -62.61 -24.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.746 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.3 m -65.61 -36.02 82.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.601 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -40.2 63.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 734' ' ' VAL . 82.6 mt -59.35 -42.59 91.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.772 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.3 tp -66.21 -40.7 90.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.963 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 -179.11 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 83.4 t80 . . . . . 0 C--O 1.228 -0.063 0 CA-C-O 120.927 0.394 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.03 -37.69 88.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -69.65 -53.13 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.796 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.26 -38.63 84.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -64.56 -50.43 67.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.035 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.34 -34.08 74.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.78 -39.66 87.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.811 0.338 . . . . 0.0 110.273 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -60.79 -42.26 99.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.815 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.12 -43.77 87.4 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.02 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.67 -36.31 83.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.311 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 62.7 m -62.79 -44.77 95.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 0.0 109.972 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.43 -46.81 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.435 0.636 . . . . 0.0 110.205 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.68 -22.56 66.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.541 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -92.51 2.39 56.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.172 0.51 . . . . 0.0 110.326 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . 0.434 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 35.7 mtmm 65.85 25.77 11.21 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.955 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -109.5 69.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 83.4 m-85 -73.69 -31.91 63.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.083 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.78 -30.61 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.05 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -86.59 -35.12 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.431 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.689 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.8 mt -54.73 -44.05 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.828 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 35.5 t -69.44 -42.45 74.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -61.62 -47.0 87.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.43 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.73 -29.69 67.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 44.3 t -61.26 -39.82 91.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.31 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.9 -31.7 70.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.548 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.0 m -63.52 -45.39 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.251 175.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.81 -37.46 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -62.94 -28.28 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 110.506 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 33.7 mt -86.99 -44.48 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.391 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -147.48 122.3 9.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.885 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -104.72 11.54 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.707 0.289 . . . . 0.0 110.556 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.96 13.01 31.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.467 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.24 105.48 15.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.998 0.427 . . . . 0.0 110.39 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.4 p -66.85 -22.98 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.91 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.04 70.44 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.996 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.25 -52.76 24.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.947 0.403 . . . . 0.0 110.023 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 80.6 m-85 -57.99 -47.56 82.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.38 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 15.5 p -59.9 -38.69 83.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.427 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.24 -32.89 56.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -62.93 -42.59 99.85 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.52 -43.48 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.824 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.47 -38.94 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.237 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.93 -47.15 69.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 16.2 m-85 -56.96 -38.68 73.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.6 mt -57.5 -33.39 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.37 -34.71 54.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.24 12.73 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.852 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 20.5 t 64.63 32.18 11.59 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.355 0.598 . . . . 0.0 111.123 176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . 0.445 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 79.9 mt-30 -107.7 67.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.47 0.653 . . . . 0.0 109.416 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -70.56 -37.31 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.031 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.24 -41.22 98.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 109.944 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.36 -47.24 74.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.195 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -56.33 -42.56 77.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.711 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -56.36 -46.02 80.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.753 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.67 -37.64 82.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.165 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -64.94 -43.57 92.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.563 177.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.39 -40.45 94.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.661 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.0 t70 -62.45 -49.73 74.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 178.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.538 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.5 mm100 -58.24 -34.06 70.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.44 91.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 69.3 mt -72.63 -30.58 64.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.72 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.661 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 11.9 mm-40 -63.75 -31.03 72.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.856 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.6 mt -84.57 -49.95 8.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.995 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -124.24 103.35 8.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.231 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.03 87.56 6.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.921 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.0 14.63 0.48 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.042 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -79.81 108.91 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.504 HG13 HG11 ' A' ' 717' ' ' VAL . 98.5 t -57.27 -41.98 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.731 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.51 -33.52 73.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.666 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.69 70.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.44 -51.44 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 71.5 t80 -58.91 -45.62 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.515 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -77.43 -24.12 50.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.301 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -72.27 -38.49 68.83 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.4 93.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.472 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -64.46 -35.64 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -66.53 -51.78 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.537 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.1 m-70 -57.99 -41.64 83.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.706 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.63 -40.25 78.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.888 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.45 -27.11 73.12 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.233 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.81 4.1 50.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.416 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . 0.545 ' HB2' ' HZ1' ' A' ' 705' ' ' LYS . 10.4 mtmp? 66.62 28.47 9.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.023 -177.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.86 73.49 1.99 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -78.78 -33.94 45.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.329 -169.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.5 -35.37 80.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -73.07 -45.83 55.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.929 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 26.5 t -60.73 -40.92 94.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.422 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.15 -30.68 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.689 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.2 -43.25 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.403 ' O ' HG21 ' A' ' 717' ' ' VAL . 70.0 m-20 -75.06 -36.42 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.7 mt -64.63 -47.95 76.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.382 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.609 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 22.1 m-80 -61.32 -32.25 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.099 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.33 -44.23 83.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.504 HG11 HG13 ' A' ' 691' ' ' VAL . 79.0 t -57.45 -39.65 69.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.439 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.8 mm -62.31 -27.71 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.985 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 60.2 mt -81.07 -43.11 19.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.69 -42.93 39.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.32 89.18 5.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.418 . . . . 0.0 110.038 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.34 3.35 6.36 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.528 2.152 . . . . 0.0 112.596 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 15.2 t -89.12 -9.96 49.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.249 0.547 . . . . 0.0 109.694 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.413 HG21 ' H ' ' A' ' 727' ' ' ALA . 14.0 mt -76.44 103.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.121 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.5 mm -65.14 -32.06 56.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 14.1 mm-40 -56.77 -44.75 82.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.205 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.413 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -73.36 -27.8 61.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.926 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -69.85 -26.34 64.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.455 0.645 . . . . 0.0 109.997 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 729' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.3 mmt -87.09 -33.63 19.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.11 176.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 23.6 mm-40 -69.41 -49.5 54.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.03 -30.1 71.2 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.877 -175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 0.0 OUTLIER -74.79 -36.97 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.557 ' HG3' ' NH2' ' A' ' 736' ' ' ARG . 38.7 tt0 -71.98 -46.36 57.6 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 737' ' ' LEU . 91.8 t -63.57 -31.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.847 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.3 m -65.87 -30.05 70.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.63 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 14.1 mtm180 -74.84 -46.02 39.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 734' ' ' VAL . 72.7 mt -54.98 -47.57 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.592 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.64 -39.84 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.227 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.534 -178.85 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 653' ' ' ASN . 72.8 t80 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 628' ' ' GLU . 98.7 mttt -63.35 -53.05 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.171 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.98 76.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 111.259 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.18 -45.19 85.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.27 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -66.97 -41.46 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.022 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 624' ' ' LYS . 10.0 mm-40 -62.38 -50.03 73.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.333 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.99 -27.17 66.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.933 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.458 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -59.19 -47.64 89.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.557 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -62.14 -33.64 74.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.33 -45.03 95.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.634 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.7 m -60.76 -40.58 93.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.253 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 630' ' ' GLY . 90.2 t -63.19 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.94 -33.23 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.959 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.94 -6.36 50.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 0.0 110.302 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 65.47 29.9 11.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.692 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -101.59 64.15 0.98 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.483 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 61.7 m-85 -68.32 -32.92 73.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.105 -170.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -61.37 -28.73 69.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.14 -37.83 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.35 -33.96 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.427 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.6 mt -52.29 -51.31 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.913 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' SER . . . . . 0.529 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 93.8 p -65.18 -39.11 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.678 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -61.86 -44.65 96.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 662' ' ' ASN . 33.3 m-85 -74.7 -28.08 60.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.426 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 43.5 m -67.44 -31.63 71.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.146 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 644' ' ' SER . 32.4 mm-40 -66.34 -32.96 74.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.009 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 81.6 m -67.35 -39.58 85.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.557 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -25.53 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.47 -23.56 63.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.9 mt -97.23 -45.34 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.81 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.465 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 33.4 t30 -149.23 128.33 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -175.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -113.29 10.84 18.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . 0.463 ' C ' HD11 ' A' ' 686' ' ' LEU . 34.9 mmtp -101.38 9.84 41.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.195 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -105.06 107.38 18.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.38 -23.71 65.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.791 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.48 77.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.022 0.439 . . . . 0.0 110.945 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.7 -47.09 90.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.456 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -65.81 -42.26 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.963 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.7 p -61.59 -40.86 96.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.317 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 646' ' ' TYR . 12.0 m-80 -65.12 -43.84 90.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.001 177.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.43 -50.34 71.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.91 -43.6 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.461 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . 0.47 ' HB2' ' NH1' ' A' ' 696' ' ' ARG . 3.3 tm? -57.99 -43.87 86.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.939 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.0 m -65.74 -43.81 87.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.79 -37.36 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.602 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -59.77 -32.0 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 111.051 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -76.69 -29.66 56.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.52 16.33 13.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.621 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 44.4 t 63.81 21.68 12.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.364 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.63 68.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 109.952 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -67.39 -37.12 82.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.07 -35.83 78.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.246 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.411 ' HA ' ' NE2' ' A' ' 678' ' ' GLN . 12.4 mm-40 -75.71 -41.98 52.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.256 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.337 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.405 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.0 ttmt -53.99 -44.02 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.891 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 675' ' ' GLU . 44.5 mt-30 -64.18 -50.83 66.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.414 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -33.52 76.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.467 -177.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.689 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 20.3 t70 -66.56 -41.15 89.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.7 mm100 -60.11 -36.57 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.634 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.9 90.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.59 -31.93 70.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.209 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.0 mt-30 -61.29 -28.17 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 18.2 mt -92.37 -42.78 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.162 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.64 103.31 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.535 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.78 90.91 5.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.589 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.15 19.14 0.55 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.062 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.49 106.17 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.534 HG11 HG13 ' A' ' 717' ' ' VAL . 92.3 t -56.36 -40.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.692 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -65.51 -31.62 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.55 59.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.52 -50.43 63.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.11 0.481 . . . . 0.0 110.683 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.606 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 75.7 t80 -58.59 -43.27 89.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.384 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.47 ' NH1' ' HB2' ' A' ' 665' ' ' LEU . 97.6 mtt180 -78.26 -26.45 47.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.273 -176.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.46 -39.55 77.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.5 mt -61.05 -42.11 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.084 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.53 64.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.812 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 58.8 m-70 -57.48 -44.93 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.89 -45.79 78.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -65.92 -24.02 71.34 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.663 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.8 7.67 44.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.29 26.45 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.748 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 88.1 m-20 -99.58 76.47 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -80.52 -36.05 33.71 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.205 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.1 OUTLIER -65.39 -35.93 82.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -70.48 -44.84 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.86 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.28 -40.31 93.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.082 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.86 -33.71 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.43 -37.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.548 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 717' ' ' VAL . 65.4 m-20 -83.45 -33.99 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.552 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.2 -47.69 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.548 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.551 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 37.8 m-80 -61.51 -32.68 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . 0.568 ' O ' HD22 ' A' ' 720' ' ' LEU . 0.1 OUTLIER -65.02 -46.9 79.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.741 176.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.534 HG13 HG11 ' A' ' 691' ' ' VAL . 70.0 t -54.96 -39.72 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.959 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.552 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.9 mm -63.59 -23.77 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.479 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.3 mt -76.2 -53.97 7.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -60.25 -58.22 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.455 0.645 . . . . 0.0 111.126 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -127.57 90.87 47.2 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.409 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.41 2.93 5.74 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.018 2.478 . . . . 0.0 113.288 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 21.0 m -103.45 2.08 33.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.765 0.317 . . . . 0.0 111.231 -174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.456 HG21 ' H ' ' A' ' 727' ' ' ALA . 22.9 mt -81.62 106.5 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.155 0.502 . . . . 0.0 110.665 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.48 -34.78 71.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 20.4 mm-40 -55.08 -48.67 73.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.521 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.456 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -68.73 -29.86 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.983 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -71.92 -28.22 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 0.0 110.107 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.7 mmt -85.03 -21.15 29.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.537 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 57.7 mm-40 -80.53 -50.16 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.442 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -27.08 68.27 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.819 -175.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -73.24 -39.22 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.477 ' CD ' HH21 ' A' ' 736' ' ' ARG . 7.4 tp10 -69.7 -48.48 59.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.394 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.485 ' HA ' HD13 ' A' ' 737' ' ' LEU . 95.2 t -61.47 -32.22 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.167 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.5 m -64.02 -35.85 82.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 733' ' ' GLU . 32.8 mtm180 -79.96 -36.42 36.19 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 734' ' ' VAL . 89.4 mt -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.213 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.81 -29.99 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.524 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.716 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 88.7 t80 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.35 -50.86 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.766 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -64.12 -42.31 96.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.012 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.432 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 86.2 mt -64.33 -40.31 95.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.109 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.75 -45.41 94.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 48.0 mt-10 -58.6 -47.22 85.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.516 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 62.6 mm-40 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 634' ' ' VAL . . . -56.28 -48.74 72.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -61.76 -41.96 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.583 0.23 . . . . 0.0 111.233 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.2 mm-40 -62.7 -30.84 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.556 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 69.3 m -75.66 -48.33 22.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.114 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 630' ' ' GLY . 87.4 t -54.82 -44.74 73.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -74.56 -12.44 60.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.671 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -105.67 10.21 32.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.228 0.537 . . . . 0.0 110.034 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . 0.606 ' HA ' ' CE1' ' A' ' 639' ' ' TYR . 51.0 mtpt 63.24 23.95 14.09 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.03 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -100.53 56.84 0.91 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.929 0.871 . . . . 0.0 108.917 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 637' ' ' LYS . 83.8 m-85 -67.63 -30.52 70.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.861 -174.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -60.95 -39.49 89.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.81 -31.64 28.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.034 0.445 . . . . 0.0 110.308 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.77 68.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.742 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.7 mt -54.3 -46.3 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.853 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 27.4 m -69.67 -36.45 76.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.977 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.08 -44.01 77.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . 0.454 ' O ' ' HG ' ' A' ' 650' ' ' LEU . 29.6 m-85 -71.6 -25.06 62.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 23.1 t -65.35 -33.66 76.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.53 -32.56 66.22 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 646' ' ' TYR . 67.1 m -59.77 -40.58 88.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.006 174.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 646' ' ' TYR . 85.5 mt -72.53 -10.42 59.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.673 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 52.0 mt -99.63 -51.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.819 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 46.2 t30 -135.59 126.58 27.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 111.047 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -118.82 12.5 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . 0.436 ' C ' HD13 ' A' ' 686' ' ' LEU . 26.9 tptp -94.29 -9.67 35.28 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 121.085 0.469 . . . . 0.0 110.809 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -92.39 106.45 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.101 0.476 . . . . 0.0 111.087 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.77 -20.94 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.655 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.3 -30.29 71.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.721 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.07 -50.46 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 65.0 m-85 -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.944 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 7.0 p -65.56 -40.7 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.304 . . . . 0.0 111.005 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . 0.427 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 8.5 m-80 -64.98 -39.85 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.446 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -57.78 -51.3 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.03 -43.6 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.132 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . 0.412 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 54.6 tp -55.92 -45.57 78.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.543 176.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.25 -47.18 83.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.798 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.86 -32.87 68.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.925 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -63.93 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.132 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.5 mptp? -76.24 -28.7 57.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.18 3.81 52.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.503 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.0 m 62.05 24.94 14.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.469 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -94.4 68.16 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -64.11 -35.6 81.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.205 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.71 -38.6 88.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.26 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -72.35 -46.45 55.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.033 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -57.56 -40.75 79.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.528 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.473 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -53.21 -44.73 68.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.038 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.1 -44.46 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.216 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 2.1 m-20 -61.42 -34.52 75.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.57 -41.54 96.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.94 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.89 -40.02 96.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.265 0.555 . . . . 0.0 110.041 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.584 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.8 mm100 -64.05 -33.42 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.72 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.67 70.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.417 . . . . 0.0 110.779 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.5 mt -78.07 -29.65 49.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.898 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 682' ' ' GLN . 11.0 pt20 -66.53 -36.88 83.79 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.21 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.8 mt -76.15 -42.03 48.03 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.948 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.73 104.08 7.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -78.49 80.31 4.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.407 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 145.18 26.37 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.214 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.31 104.79 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.562 HG13 HG11 ' A' ' 717' ' ' VAL . 78.2 t -54.72 -42.9 63.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.665 -176.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.631 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 98.9 mttt -64.91 -35.51 81.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.42 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -64.67 -47.03 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 109.921 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.559 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 59.4 t80 -60.03 -43.41 95.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 29.2 mmt180 -64.27 -42.66 96.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 0.0 110.586 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 701' ' ' HIS . 43.8 ttp180 -69.33 -37.15 77.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.956 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.32 92.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 82.9 mt -67.48 -40.28 85.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.291 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.38 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.814 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.473 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 54.2 m-70 -61.06 -40.17 92.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.8 -42.09 78.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.89 -20.73 78.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.649 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 67.6 mt -96.42 5.83 50.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 62.36 30.87 17.47 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.088 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.0 m-20 -101.8 66.8 1.07 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 174.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -74.44 -30.95 62.11 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.113 -167.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 712' ' ' ILE . 8.2 tp-100 -63.18 -42.74 99.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.38 -43.71 93.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.668 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.8 t -61.31 -43.78 98.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.14 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 55.5 mt -58.56 -34.8 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.3 mt -63.34 -36.92 78.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.442 . . . . 0.0 110.476 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.418 ' O ' HG22 ' A' ' 717' ' ' VAL . 60.9 m-20 -80.46 -36.39 33.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.3 mt -66.61 -47.84 71.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.598 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.598 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.0 m-80 -61.8 -32.21 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.025 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -66.81 -41.71 87.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.585 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.562 HG11 HG13 ' A' ' 691' ' ' VAL . 72.3 t -60.03 -37.48 72.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.9 mm -66.11 -27.67 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.872 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.0 mt -73.63 -40.05 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.223 0.535 . . . . 0.0 110.321 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.5 mt -79.62 -47.49 15.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.655 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -143.24 93.44 6.48 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 0.0 110.473 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.55 9.97 2.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.066 2.51 . . . . 0.0 112.592 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.0 m -93.49 -15.24 25.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.424 HG23 ' H ' ' A' ' 727' ' ' ALA . 15.8 mt -73.9 104.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.76 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.55 -34.02 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.423 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 37.0 mt-10 -54.87 -46.16 74.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.424 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -72.01 -29.42 64.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.005 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.395 0.617 . . . . 0.0 109.927 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -84.29 -22.63 30.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.802 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -82.38 -48.72 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -24.73 66.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.776 -175.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.0 pt-20 -74.43 -39.2 62.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.058 0.456 . . . . 0.0 109.825 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 6.4 tp10 -75.91 -44.47 40.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.0 t -61.57 -32.51 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.241 -178.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.9 m -65.1 -35.06 79.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.4 mtm-85 -77.98 -38.82 44.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.369 0.604 . . . . 0.0 109.517 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 734' ' ' VAL . 70.5 mt -61.5 -39.58 91.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.784 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.91 -35.39 80.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.706 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.4 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -62.6 -49.89 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.732 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.1 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.026 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.468 ' CB ' ' HG ' ' A' ' 649' ' ' CYS . 51.4 mt -60.67 -37.83 82.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -64.07 -51.44 64.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.0 110.36 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.14 -52.09 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.182 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.35 -34.91 79.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.08 96.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.89 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -63.67 -34.06 77.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.81 -38.48 89.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.318 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.12 -39.58 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.43 -49.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.83 -33.68 76.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -77.33 0.02 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.709 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 65.81 20.78 11.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.849 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.56 61.5 0.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 78.9 m-85 -64.55 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.066 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -62.91 -28.42 70.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.3 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -85.87 -36.67 19.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 109.896 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.07 75.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.685 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.3 mt -54.42 -47.96 72.19 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.63 176.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.6 m -66.45 -40.06 89.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.057 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.16 -45.5 80.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -69.46 -26.73 64.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 t -64.48 -37.76 88.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.986 0.422 . . . . 0.0 109.919 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 651' ' ' LYS . 34.5 mm-40 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.037 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.468 ' HG ' ' CB ' ' A' ' 626' ' ' LEU . 65.4 m -57.7 -47.06 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.575 177.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -57.69 -40.6 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.426 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.465 ' HE2' ' HA ' ' A' ' 648' ' ' GLU . 52.4 mtmt -64.22 -22.44 66.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.272 0.558 . . . . 0.0 110.73 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.9 mt -90.28 -42.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.208 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -155.54 119.74 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.892 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -101.45 8.66 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.828 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -98.61 10.51 40.88 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.712 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.23 108.17 19.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.5 p -64.51 -23.42 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.705 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.02 71.89 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.042 0.448 . . . . 0.0 111.181 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 46.7 mm -72.2 -47.22 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -64.31 -46.63 82.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.701 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.2 p -61.1 -43.11 99.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.67 0.271 . . . . 0.0 111.543 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -77.79 -30.07 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.846 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.7 ttp180 -69.45 -40.97 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.23 -39.6 90.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.538 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.64 -36.66 76.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.214 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 74.5 m -71.37 -43.65 66.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.521 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -57.12 -35.52 69.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.606 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.7 mt -58.08 -31.61 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.177 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -80.83 -35.21 33.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.16 8.51 15.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 67.15 19.96 10.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.861 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -93.22 65.32 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.274 0.559 . . . . 0.0 109.505 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . 0.412 ' O ' ' HB1' ' A' ' 700' ' ' ALA . 44.5 m-85 -66.68 -36.42 82.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.635 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.25 -39.92 88.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.57 -44.04 68.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.31 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.095 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.8 ttmt -56.1 -48.07 76.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.64 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.259 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.74 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.5 m -63.42 -37.01 85.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 32.7 t70 -64.88 -41.6 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.51 -43.29 97.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.87 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 53.7 mt -72.63 -27.19 61.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 25.6 mt-30 -70.05 -34.53 73.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.457 . . . . 0.0 109.955 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.58 -40.73 25.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 103.88 8.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.395 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.97 88.75 5.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.341 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.17 21.86 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.155 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -80.17 105.71 11.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.53 HG12 HG11 ' A' ' 717' ' ' VAL . 96.4 t -57.34 -42.46 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.414 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.9 -33.66 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.81 -40.47 72.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -66.82 -49.07 66.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.069 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.631 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.1 t80 -58.94 -47.65 84.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.381 -176.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.57 -25.09 59.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.318 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.48 -40.21 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . 0.427 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -58.37 -41.37 84.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.647 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 64.1 mt -61.86 -39.46 91.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.018 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 673' ' ' PHE . . . -64.14 -52.01 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.941 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.453 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 74.3 m-70 -57.17 -39.22 74.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.12 -38.61 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.668 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -79.23 -14.45 81.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.46 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 673' ' ' PHE . 53.2 mt -100.69 10.03 41.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.744 0.307 . . . . 0.0 110.569 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 63.07 26.14 15.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.218 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.77 71.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.998 -170.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.576 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -67.83 -38.2 82.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.067 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.11 -44.81 91.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.73 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.7 t -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.243 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 37.6 mt -58.85 -34.68 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.458 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 708' ' ' GLN . 69.6 mt -61.74 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.0 m-20 -77.31 -34.49 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.123 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.587 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.7 mt -66.8 -47.85 70.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.542 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.687 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 29.3 m-80 -62.15 -34.25 76.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -60.19 -44.47 95.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.096 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 691' ' ' VAL . 70.4 t -61.82 -39.74 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.726 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -65.47 -28.27 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.1 0.476 . . . . 0.0 110.518 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 69.2 mt -74.19 -43.17 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.095 0.474 . . . . 0.0 110.499 176.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.29 -43.76 55.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.896 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.35 93.74 4.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.534 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.64 9.02 3.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.893 2.395 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 19.2 t -97.7 -3.38 39.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 109.804 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.487 HG23 ' H ' ' A' ' 727' ' ' ALA . 26.7 mt -82.56 106.16 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.33 -31.02 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.338 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.49 -46.36 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.419 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.487 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -68.51 -27.37 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -71.63 -28.73 63.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.1 mmt -86.19 -24.39 26.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.703 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.403 ' O ' HG21 ' A' ' 734' ' ' VAL . 66.7 mm-40 -76.46 -50.97 12.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.507 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -27.35 66.2 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.207 -173.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 8.5 pt-20 -70.21 -36.77 74.8 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 44.0 tt0 -71.42 -47.35 56.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.31 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.468 ' HA ' HD13 ' A' ' 737' ' ' LEU . 90.5 t -61.01 -33.98 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.779 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 95.8 m -65.31 -32.8 74.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 30.2 mtm180 -75.05 -34.88 61.89 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 734' ' ' VAL . 54.1 mt -69.42 -42.57 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.474 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.4 tp -63.77 -30.87 71.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.904 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.242 179.675 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 88.2 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 110.083 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -66.89 -40.03 87.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.906 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.38 -32.99 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.48 -40.76 70.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -64.39 -46.18 84.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.702 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.7 pt-20 -62.96 -43.73 97.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.032 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -69.92 -30.55 67.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.855 0.359 . . . . 0.0 110.352 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.65 99.71 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.63 -42.28 96.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.025 0.441 . . . . 0.0 109.986 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.631 ' HA ' HE21 ' A' ' 632' ' ' GLN . 0.0 OUTLIER -63.55 -40.01 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.565 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 76.0 m -63.49 -45.06 92.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.104 0.253 . . . . 0.0 110.654 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.08 -41.17 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.95 0.405 . . . . 0.0 110.427 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.34 -39.82 94.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.93 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.86 -8.78 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 0.0 110.565 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . 0.486 ' HZ2' ' HB2' ' A' ' 637' ' ' LYS . 8.7 mtmp? 70.26 20.31 6.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.846 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.58 77.12 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.55 0.691 . . . . 0.0 109.203 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.539 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 62.0 m-85 -70.66 -25.12 62.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.913 -173.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -56.65 -53.04 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.931 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -82.65 -19.64 37.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.04 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.5 81.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 86.9 mt -57.62 -41.96 82.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.592 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 7.0 m -64.67 -49.41 71.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.26 -47.71 80.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.2 m-85 -72.89 -24.95 60.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.164 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 47.4 t -68.34 -44.14 75.97 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.13 -25.18 66.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 83.1 m -63.83 -43.54 95.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.246 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.52 -28.99 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.087 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -61.98 -27.24 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.6 mt -98.33 -51.55 10.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.763 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -138.72 115.28 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.264 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.01 12.66 35.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.057 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -103.17 11.52 36.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.26 95.96 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.635 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.21 -26.7 68.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.343 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.49 75.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.001 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 48.5 mm -61.96 -46.81 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.162 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -63.51 -43.34 97.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.273 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.4 p -65.94 -28.25 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.07 -39.9 32.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.545 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -63.26 -44.31 95.51 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.23 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.651 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.33 -42.5 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.3 -45.88 92.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.987 0.422 . . . . 0.0 109.88 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.61 -38.03 89.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.768 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 19.1 m-85 -64.95 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 177.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 92.2 mt -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.573 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -73.24 -33.18 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.851 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 81.8 mt -100.1 28.14 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 28.3 p 47.37 34.85 3.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.082 0.953 . . . . 0.0 112.976 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 49.2 mt-30 -107.53 65.42 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.311 0.577 . . . . 0.0 109.729 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.48 -37.2 79.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.607 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.33 -37.63 83.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.968 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.23 -42.25 72.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.971 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.995 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -54.34 -44.25 71.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.09 -44.99 96.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.35 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -38.85 82.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.28 -40.42 94.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.373 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.8 t70 -66.38 -40.93 90.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.301 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 17.1 mm100 -62.14 -37.62 85.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.76 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.702 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.86 -31.05 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.437 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.8 mt-30 -63.76 -29.81 70.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.41 . . . . 0.0 110.296 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 21.7 mt -88.88 -47.07 8.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -117.86 103.8 10.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.59 92.73 5.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.011 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 123.57 19.37 2.82 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.175 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -76.93 106.35 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.524 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -56.49 -37.63 52.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.297 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 62.8 mttm -65.67 -37.21 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.596 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.72 84.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -65.89 -47.55 74.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.233 0.539 . . . . 0.0 110.026 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.573 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.2 t80 -59.07 -42.54 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.981 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.2 mmt180 -64.98 -44.34 89.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.02 -36.95 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.929 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.28 95.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.658 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.1 mt -66.04 -37.49 85.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.103 0.478 . . . . 0.0 110.256 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.01 -52.28 63.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.677 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.21 -35.71 77.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.813 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.89 -43.32 86.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.344 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -74.94 -21.6 78.19 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.246 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.68 8.42 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.725 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 62.68 22.27 13.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.941 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.22 67.28 1.57 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -74.25 -29.27 61.6 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.154 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.91 -32.45 73.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 109.511 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -78.26 -40.25 37.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -64.05 -41.34 97.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.219 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.13 -32.94 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.73 -40.03 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.918 0.39 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 717' ' ' VAL . 73.5 m-20 -83.4 -34.7 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.9 mt -65.69 -48.07 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.369 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.652 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.3 m-80 -59.73 -39.1 83.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.395 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.524 HG13 HG13 ' A' ' 691' ' ' VAL . 70.7 t -61.46 -39.89 84.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 175.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.3 mm -64.35 -36.34 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.34 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 68.9 mt -69.31 -38.61 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 110.693 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.91 -44.29 22.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.067 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -144.41 89.29 6.95 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 109.982 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.74 7.14 4.04 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.905 2.403 . . . . 0.0 113.044 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 25.6 m -97.56 -3.86 38.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.4 mt -80.26 95.73 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.816 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.06 -34.61 67.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.348 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 62.8 mm-40 -54.09 -44.0 70.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.627 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.429 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -76.05 -28.38 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 30.3 mtpp -74.9 -24.22 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.219 0.533 . . . . 0.0 110.168 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.0 mmt -86.33 -19.78 29.3 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.576 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 20.0 mm-40 -80.49 -51.69 8.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.783 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.513 HD11 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -63.74 -26.85 68.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.059 -174.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.513 ' N ' HD11 ' A' ' 731' ' ' LEU . 6.9 pt-20 -73.46 -34.76 65.53 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.437 ' CD ' HH21 ' A' ' 736' ' ' ARG . 9.2 tp10 -77.75 -44.28 28.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.95 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.485 ' HA ' HD11 ' A' ' 737' ' ' LEU . 79.1 t -60.71 -30.94 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.9 m -65.0 -36.81 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.473 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.437 HH21 ' CD ' ' A' ' 733' ' ' GLU . 60.8 mtm-85 -77.37 -38.47 50.03 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.342 0.591 . . . . 0.0 109.533 -177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 734' ' ' VAL . 75.7 mt -61.2 -39.48 90.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.422 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.3 tp -71.39 -29.92 65.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.895 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.348 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 86.5 t80 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.086 0.469 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.77 -42.36 97.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.579 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.71 -38.01 76.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.453 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 78.2 mt -64.5 -38.69 91.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.7 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.14 -48.2 79.49 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.0 pt-20 -65.46 -39.56 92.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.54 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -60.9 -43.7 98.14 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.273 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.434 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -59.45 -44.53 96.6 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.715 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.88 -41.94 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.842 0.353 . . . . 0.0 110.667 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.0 mm-40 -59.72 -40.57 88.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 56.5 m -69.62 -37.49 76.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 630' ' ' GLY . 98.3 t -63.92 -44.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 121.043 0.449 . . . . 0.0 110.237 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.62 -34.08 77.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.53 -5.91 57.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.797 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 56.0 mttp 66.81 22.9 10.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.921 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -101.63 67.45 1.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -66.45 -32.17 73.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.666 -171.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.16 -29.34 70.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.354 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.26 -35.02 21.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 0.0 109.866 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.86 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.853 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 93.2 mt -54.75 -45.5 74.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.739 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 21.7 t -65.63 -39.74 91.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.29 -44.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -70.13 -27.11 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.894 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 14.2 t -62.39 -37.78 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.02 0.438 . . . . 0.0 109.893 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.94 -25.71 63.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 63.7 m -66.27 -42.26 88.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.194 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.52 -10.32 58.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.537 ' HZ3' ' HB3' ' A' ' 651' ' ' LYS . 9.2 mtpm? -77.01 -30.32 55.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.101 174.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 43.3 mt -97.0 -50.96 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.371 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 35.1 t30 -137.19 131.58 32.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -175.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -119.01 14.52 13.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.039 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -102.07 2.42 37.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . 0.42 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.4 tp10 -91.48 93.0 8.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 4.1 p -61.48 -22.24 64.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.32 85.35 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.592 0.235 . . . . 0.0 110.943 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.6 mm -58.32 -45.89 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.908 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.18 -46.2 78.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -62.55 -33.86 75.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.468 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -80.68 -38.0 29.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.591 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 2.8 ttp180 -68.55 -38.61 80.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.192 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.624 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.42 -41.12 88.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.727 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 67.5 tp -60.38 -39.22 86.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.357 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.71 -37.01 83.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.557 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -66.66 -34.29 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.349 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 88.2 mt -63.57 -30.26 71.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.379 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -85.4 -18.7 32.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.187 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 672' ' ' GLN . 72.7 mt -102.56 24.79 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.731 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 27.9 p 45.85 36.59 2.93 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.096 0.873 . . . . 0.0 112.133 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 670' ' ' LEU . 23.3 mt-30 -113.55 57.69 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.647 0.737 . . . . 0.0 109.456 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -67.14 -35.08 78.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.098 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -61.78 -33.56 74.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.45 -43.07 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.265 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.79 82.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -55.66 -35.63 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.822 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -75.1 -41.23 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.725 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -45.31 94.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.664 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 42.3 m -61.51 -33.45 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.524 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.659 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 14.8 t70 -61.51 -55.12 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.78 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.598 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.3 mm100 -60.47 -36.7 78.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.294 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.11 94.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.0 110.985 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.14 -29.51 61.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.8 mm-40 -65.01 -30.32 71.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.221 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.7 mt -86.4 -44.89 11.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.268 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.66 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.72 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.56 90.35 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.39 0.614 . . . . 0.0 109.67 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.92 10.21 0.57 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.394 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -77.82 101.73 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.524 HG11 HG11 ' A' ' 717' ' ' VAL . 95.4 t -57.54 -39.89 71.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.192 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.692 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 61.5 mtpt -60.24 -37.02 79.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -68.23 -44.61 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -63.12 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.334 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.55 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 66.0 t80 -62.83 -41.58 99.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.045 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.692 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 23.7 mmt180 -65.55 -40.01 92.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.701 0.286 . . . . 0.0 110.331 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . 0.519 ' NH2' ' HB2' ' A' ' 681' ' ' ASP . 23.5 ttm180 -66.9 -40.44 87.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.93 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.48 92.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.475 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 87.1 mt -67.06 -38.35 85.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 177.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 704' ' ' LEU . . . -60.89 -53.72 53.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.486 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 57.8 m-70 -61.59 -37.3 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.45 -46.48 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.444 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.34 -20.98 75.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 700' ' ' ALA . 55.4 mt -93.43 6.52 47.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 109.849 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 60.34 29.81 19.31 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.046 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -100.61 69.17 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.032 -0.985 . . . . 0.0 108.778 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 37.0 m-85 -76.35 -27.08 56.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.542 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.93 -36.8 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.363 0.601 . . . . 0.0 109.411 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . 0.525 ' HZ1' ' HB3' ' A' ' 709' ' ' LYS . 0.9 OUTLIER -72.02 -48.01 47.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.268 178.584 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 28.4 t -59.53 -41.36 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.609 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.61 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.58 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 110.159 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -78.14 -35.66 48.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 718' ' ' ILE . 91.2 mt -65.89 -48.38 71.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 23.0 m-80 -59.02 -35.5 73.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -63.61 -42.61 98.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.524 HG11 HG11 ' A' ' 691' ' ' VAL . 69.0 t -60.42 -42.68 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -61.48 -30.46 48.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 79.8 mt -78.86 -39.18 35.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 111.171 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.48 -41.83 54.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.674 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -146.21 89.88 5.86 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.119 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.48 5.87 4.84 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.762 2.308 . . . . 0.0 112.847 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.7 p -102.6 4.3 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.929 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.459 HG23 ' H ' ' A' ' 727' ' ' ALA . 13.5 mt -83.19 99.5 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -60.33 -36.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.678 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 25.1 mm-40 -57.34 -44.29 84.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.459 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -70.49 -31.79 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . 0.542 ' HB3' ' HZ3' ' A' ' 728' ' ' LYS . 9.1 mtpm? -73.17 -28.8 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.27 0.557 . . . . 0.0 110.33 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.83 -19.93 29.91 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.722 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 35.8 mm-40 -75.51 -56.03 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.252 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.47 -28.56 69.75 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.348 -173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.55 -28.65 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.332 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.36 -43.83 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.449 ' HA ' HD13 ' A' ' 737' ' ' LEU . 84.0 t -60.82 -32.77 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.173 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.3 m -62.68 -34.98 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.0 mtm105 -78.62 -40.18 35.1 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 734' ' ' VAL . 91.5 mt -59.16 -39.08 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.638 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.85 -34.33 76.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.841 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.823 -178.172 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 91.1 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.215 0.531 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.07 -40.91 82.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.05 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.404 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 82.6 mt -60.6 -44.06 96.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.647 177.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.52 -49.53 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.4 mt-10 -64.94 -43.92 91.17 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.448 -176.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -63.81 -33.79 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.489 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -62.84 -45.69 95.17 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 172.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.64 -43.65 85.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.264 177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.4 mm-40 -62.57 -40.19 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.569 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 77.4 m -65.29 -38.93 91.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 176.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 630' ' ' GLY . 75.5 t -59.26 -51.13 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.833 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -67.95 -19.73 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.401 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -96.42 6.47 48.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.564 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . 0.456 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 59.4 mttp 62.91 24.41 14.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 65.8 t30 -112.3 63.34 0.63 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.725 0.774 . . . . 0.0 109.039 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.456 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 77.8 m-85 -68.9 -27.2 65.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.056 . . . . 0.0 111.612 -172.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -62.81 -30.48 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.28 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.23 -24.98 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.505 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.99 98.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.732 174.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.3 mt -55.31 -42.82 74.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.836 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.2 m -62.1 -38.37 88.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.126 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.26 -40.79 43.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.791 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.89 -29.22 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.216 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 33.4 t -61.96 -41.93 98.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 110.01 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.93 -21.5 60.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.3 m -66.21 -40.87 90.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.124 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.81 -11.41 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.211 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.7 -33.37 72.43 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.367 0.603 . . . . 0.0 109.587 169.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.2 mt -95.82 -53.28 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.245 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.4 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 35.1 t30 -141.18 127.46 19.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.278 -172.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -116.58 9.22 14.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . 0.455 ' C ' HD13 ' A' ' 686' ' ' LEU . 21.0 tptm -90.59 -11.8 38.9 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.621 0.725 . . . . 0.0 110.072 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.02 98.99 9.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.699 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 3.7 p -60.87 -23.94 65.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.747 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.77 69.49 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 111.4 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.573 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -71.01 -47.92 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.1 m-85 -65.48 -41.7 93.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.583 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 23.3 p -61.36 -50.92 70.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.949 0.404 . . . . 0.0 110.775 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -70.61 -31.39 68.34 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.945 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 6.4 ttp180 -68.23 -42.38 79.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.559 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.46 -41.14 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.421 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.5 -37.62 75.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.081 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.58 -48.4 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.487 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -58.1 -31.19 66.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.686 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.5 mt -61.29 -32.6 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.413 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.425 ' HG2' ' CE2' ' A' ' 639' ' ' TYR . 5.1 mptp? -83.1 -26.11 31.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.206 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.41 13.0 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.529 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 77.5 m 59.69 29.19 18.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.967 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -103.97 61.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.405 0.622 . . . . 0.0 109.474 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -66.78 -33.4 75.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.131 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.17 -39.58 95.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.22 -43.5 64.33 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -56.82 -39.54 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.688 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -55.6 -45.96 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.137 0.494 . . . . 0.0 110.476 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.31 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 10.0 m-20 -65.07 -45.89 83.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.349 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 47.4 m -62.45 -35.58 79.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.94 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 25.2 t70 -62.52 -46.8 86.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.182 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 17.6 mm100 -60.75 -39.44 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.57 91.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.13 -29.7 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.24 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.8 mt-30 -63.66 -29.93 71.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.3 mt -88.57 -45.25 10.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.35 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.97 104.05 8.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.654 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -79.48 90.4 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.999 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 134.23 20.07 0.84 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.52 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -79.62 105.29 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.525 HG13 HG13 ' A' ' 717' ' ' VAL . 59.7 t -58.75 -39.96 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.779 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 696' ' ' ARG . 29.4 mmmt -63.95 -34.75 78.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.065 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.12 -44.17 63.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.286 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -61.59 -47.18 86.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.888 0.375 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.479 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.1 t80 -58.58 -39.62 80.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' A' ' 692' ' ' LYS . 52.6 mtt85 -72.94 -39.52 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.557 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -66.13 -34.97 79.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.02 90.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.562 173.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.4 mt -63.68 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.03 69.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.6 m-70 -63.18 -37.4 87.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.792 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -40.48 83.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -73.17 -26.43 70.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.081 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.01 10.65 23.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.657 0.265 . . . . 0.0 110.832 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 61.31 29.3 18.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.399 0.619 . . . . 0.0 110.804 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 94.5 m-20 -106.01 67.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -73.21 -29.23 62.66 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.329 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -63.21 -35.91 81.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.595 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -77.64 -39.93 43.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.726 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.9 t -64.54 -41.66 96.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.128 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.27 -35.17 73.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.237 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.1 -36.28 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.572 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -82.31 -36.07 27.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.613 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.2 mt -67.51 -48.5 66.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.425 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -63.4 -25.82 68.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.09 -48.11 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.525 HG13 HG13 ' A' ' 691' ' ' VAL . 77.5 t -56.1 -36.55 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.498 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 714' ' ' LEU . 40.4 mm -61.71 -28.93 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.34 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 57.5 mt -84.5 -42.27 15.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.539 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.58 -36.8 76.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.66 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -151.51 93.06 3.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.236 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.51 2.96 6.3 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.774 2.316 . . . . 0.0 113.426 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.1 p -103.09 10.43 37.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 0.0 110.946 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.417 HG23 ' H ' ' A' ' 727' ' ' ALA . 16.7 mt -87.88 104.34 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.029 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.8 mm -69.08 -38.31 78.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.09 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.68 -35.4 76.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.464 ' O ' HD13 ' A' ' 731' ' ' LEU . . . -70.2 -29.47 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.746 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -73.91 -26.39 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.189 0.519 . . . . 0.0 110.275 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.6 mmt -86.94 -19.81 28.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.037 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.68 -52.62 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.503 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -26.96 67.06 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.15 -174.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.499 ' N ' HD12 ' A' ' 731' ' ' LEU . 0.0 OUTLIER -73.28 -26.36 61.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.65 . . . . 0.0 109.847 178.135 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.17 -46.88 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.517 ' HA ' HD13 ' A' ' 737' ' ' LEU . 83.3 t -62.5 -36.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.719 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 47.0 m -63.5 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.334 177.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -80.55 -39.77 27.14 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 734' ' ' VAL . 57.7 mt -57.14 -41.36 78.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.814 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.55 -36.78 84.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.727 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.004 -178.365 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 86.9 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.048 0.451 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.14 -44.26 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.542 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.29 93.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.839 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.449 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 73.7 mt -62.44 -42.6 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.18 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.421 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 28.3 mm-40 -59.59 -46.09 89.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.491 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.73 -39.26 87.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.567 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.64 -43.37 96.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.794 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.75 -41.33 77.37 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.607 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.6 mm-40 -63.94 -39.24 93.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.63 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 66.1 m -66.52 -38.25 86.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.446 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.36 -47.54 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.0 110.484 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -70.42 -23.97 62.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.84 -2.68 56.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.32 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt 64.31 27.63 13.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.404 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -112.18 73.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.073 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.552 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.9 m-85 -73.84 -21.2 60.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.787 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -58.39 -43.59 88.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.363 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.86 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.119 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.32 79.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.666 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 94.6 mt -53.66 -48.84 69.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.751 176.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.2 m -62.22 -42.6 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.827 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.27 -46.61 69.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.272 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.61 -31.24 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.717 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 48.9 m -67.93 -30.8 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.974 0.416 . . . . 0.0 110.236 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.97 -32.16 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 174.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 70.1 m -62.66 -49.6 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.791 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.1 mt -56.68 -35.5 68.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.558 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 647' ' ' SER . 63.7 mttm -62.21 -23.11 66.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.444 . . . . 0.0 110.639 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.5 mt -96.23 -40.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.404 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 43.3 t30 -149.68 123.38 9.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.601 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -111.66 20.72 16.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.504 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -103.81 9.99 36.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.65 98.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.261 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 19.8 p -62.69 -25.17 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.594 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.16 78.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.757 0.313 . . . . 0.0 111.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 47.3 mm -62.32 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 64.6 m-85 -66.23 -46.35 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' THR . . . . . 0.408 ' CG2' ' HG3' ' A' ' 692' ' ' LYS . 7.4 p -62.03 -35.59 79.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.766 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -80.14 -37.93 32.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.537 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.53 ' HB3' ' OD1' ' A' ' 679' ' ' ASP . 3.8 ttp180 -68.51 -36.05 78.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.748 0.308 . . . . 0.0 110.276 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.508 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -63.13 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.285 174.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.63 -41.24 66.5 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 639' ' ' TYR . 76.8 m -62.87 -50.9 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.646 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . 0.446 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 9.3 m-85 -56.29 -39.86 73.37 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.416 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -57.58 -40.5 79.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.304 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -72.4 -28.64 63.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.4 13.15 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.973 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.7 m 60.76 35.43 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.569 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . 0.446 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 75.7 mt-30 -106.97 67.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -70.68 -36.28 73.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.983 -169.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.5 -41.36 97.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 110.314 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.48 -34.96 65.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.069 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.8 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -55.44 -48.3 74.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.591 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.52 -43.58 96.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.371 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.53 ' OD1' ' HB3' ' A' ' 663' ' ' ARG . 5.9 m-20 -59.13 -45.77 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 61.0 m -60.83 -39.0 87.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.618 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 35.6 t70 -64.27 -46.06 85.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.308 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.411 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.1 mm100 -61.54 -34.49 75.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.67 99.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.58 -28.23 63.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.24 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.9 mm100 -60.29 -38.53 83.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.086 174.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.3 mt -83.68 -46.26 12.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.339 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -120.88 102.58 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.925 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.44 92.76 7.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.012 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 130.59 21.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.555 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . 0.686 ' OD1' ' HG2' ' A' ' 692' ' ' LYS . 41.7 t-20 -83.1 106.98 15.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.524 HG11 HG12 ' A' ' 717' ' ' VAL . 86.0 t -57.04 -43.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.176 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.686 ' HG2' ' OD1' ' A' ' 690' ' ' ASN . 17.6 ptmt -66.74 -30.31 70.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.774 0.321 . . . . 0.0 110.793 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -66.53 -41.52 88.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.522 177.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.92 -46.12 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 110.137 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.547 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 64.9 t80 -58.7 -45.57 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.221 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 25.4 mmt180 -67.72 -35.52 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -68.86 -39.07 80.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.684 0.278 . . . . 0.0 110.416 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.23 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 77.7 mt -66.41 -38.72 88.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.45 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.2 m-70 -61.64 -36.52 81.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -58.55 -44.13 89.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.029 0.442 . . . . 0.0 110.087 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.46 -22.73 78.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.529 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 74.6 mt -93.86 12.45 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.777 0.322 . . . . 0.0 110.686 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 61.77 25.85 15.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.216 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.73 69.18 1.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.62 -32.14 60.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.836 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -65.0 -34.26 78.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -76.24 -42.77 44.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.476 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.88 -41.29 97.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.228 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 42.3 mt -58.12 -34.34 70.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.324 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 708' ' ' GLN . 66.1 mt -61.96 -41.1 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.38 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.405 ' O ' HG22 ' A' ' 717' ' ' VAL . 64.5 m-20 -77.18 -35.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.586 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.4 mt -66.82 -48.34 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.463 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.686 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.3 m-80 -58.63 -37.33 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.644 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 13.1 tptm -61.41 -43.9 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.344 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.524 HG12 HG11 ' A' ' 691' ' ' VAL . 70.6 t -60.12 -42.22 89.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.758 174.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -62.19 -31.62 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.801 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 65.8 mt -73.82 -45.12 53.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.312 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 85.7 mt -69.03 -46.13 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.912 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -151.59 97.73 3.08 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 121.214 0.53 . . . . 0.0 110.562 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.3 11.72 2.56 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.179 2.586 . . . . 0.0 112.675 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 40.6 m -96.65 -6.46 36.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.995 0.426 . . . . 0.0 110.354 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . . . . . . . . . 12.7 mt -79.91 103.26 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.0 mm -62.64 -33.71 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.427 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 36.9 mt-10 -53.4 -51.76 61.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.166 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . . . . . . . . . . . -66.9 -30.27 70.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.105 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.12 -29.99 68.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 729' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 24.2 mmt -87.61 -20.39 26.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.605 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 15.6 mm-40 -83.04 -45.16 14.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.96 -27.19 67.26 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.668 -176.596 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.495 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.6 pt-20 -71.42 -39.16 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 33.3 tt0 -66.56 -50.66 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.287 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.488 ' HA ' HD11 ' A' ' 737' ' ' LEU . 96.0 t -60.83 -32.09 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.993 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 91.8 m -63.76 -39.44 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.483 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -75.22 -30.58 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.239 0.542 . . . . 0.0 109.812 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 734' ' ' VAL . 69.6 mt -69.73 -40.73 76.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.184 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.3 tp -68.94 -39.43 79.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.882 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.17 0.51 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . 0.46 ' HZ3' ' HB2' ' A' ' 624' ' ' LYS . 8.6 mtmp? -61.21 -44.06 97.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.19 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.037 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.405 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 76.9 mt -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.115 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.56 -46.7 89.21 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 37.5 mm-40 -62.89 -43.54 98.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.463 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -59.36 -41.15 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.094 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.04 97.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.682 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -59.4 -37.73 78.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.695 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 31.4 mm-40 -68.76 -39.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.71 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 78.8 m -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.38 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.05 -41.68 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.452 . . . . 0.0 110.52 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.59 -36.48 83.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.654 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.18 -9.83 59.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 70.8 26.37 3.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.957 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -97.66 64.44 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.451 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 61.9 m-85 -68.79 -33.57 74.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.284 -171.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -62.21 -35.08 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 9.2 t70 -89.76 -27.84 19.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 0.0 110.038 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.71 -33.66 68.63 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.23 -46.52 65.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.803 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 35.7 t -66.26 -45.17 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.324 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 30.0 mmmt -56.68 -45.21 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -72.15 -31.66 66.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.339 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 56.6 m -70.25 -29.07 65.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.89 0.376 . . . . 0.0 110.4 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 644' ' ' SER . 17.5 mm-40 -63.01 -32.67 74.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 0.0 109.839 173.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.648 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.3 m -70.6 -41.33 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.715 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.81 -30.05 68.65 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.394 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -65.45 -24.41 67.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.762 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 30.1 mt -96.52 -47.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.484 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.67 125.97 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.123 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -109.8 7.44 24.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -96.67 13.64 27.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . 0.484 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.6 tp10 -105.22 100.82 10.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 10.6 p -60.32 -26.75 66.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.757 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.76 -31.68 72.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.5 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.2 mm -68.96 -50.16 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.14 -42.79 99.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 61.3 p -66.94 -41.34 87.14 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.319 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -73.27 -33.45 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.8 ttp180 -68.06 -39.74 82.94 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.18 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.315 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 60.8 tp -56.72 -41.59 77.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.51 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.3 m -64.13 -49.16 73.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.264 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -53.78 -38.81 64.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.5 mt -57.09 -32.98 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.587 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.451 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.3 mptp? -84.8 -23.79 28.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.509 -177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.04 17.09 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 110.318 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 37.9 m 65.13 17.51 11.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.737 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -96.82 61.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.71 -37.11 85.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.42 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.14 -38.22 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.296 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.58 -39.71 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.94 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.53 91.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.807 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.49 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -53.17 -38.58 62.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.146 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.39 -46.58 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -37.87 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.933 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 57.0 m -61.33 -37.47 83.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.596 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.4 t70 -69.33 -43.48 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.4 mm100 -59.28 -38.78 81.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.19 81.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.069 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.58 -28.69 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -60.46 -35.58 76.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.059 0.457 . . . . 0.0 109.886 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 32.4 mt -80.1 -50.2 10.66 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.61 104.26 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -80.35 94.37 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.99 22.62 0.91 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -94.2 104.01 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.553 HG11 HG11 ' A' ' 717' ' ' VAL . 62.9 t -52.65 -43.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.597 -172.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.718 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 43.2 mmtm -57.41 -35.35 69.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.513 0.196 . . . . 0.0 111.241 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.68 70.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -66.67 -42.34 86.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.005 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.606 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 31.5 t80 -62.33 -47.15 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.873 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 27.1 mmt180 -65.42 -39.06 91.66 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -63.46 -47.63 81.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.537 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . 0.463 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -54.93 -45.65 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.173 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 90.2 mt -61.92 -39.96 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.44 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.43 -53.04 60.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.923 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.49 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 53.3 m-70 -60.38 -35.44 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.15 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.79 -49.02 78.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.036 0.446 . . . . 0.0 110.475 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -66.74 -23.8 72.53 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.684 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.9 mt -89.87 11.06 21.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 0.0 110.644 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.85 25.3 15.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.375 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -104.16 73.44 1.13 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -76.95 -35.63 57.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.138 -169.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 712' ' ' ILE . 8.0 tp-100 -69.46 -35.15 75.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -69.11 -39.19 79.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.161 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.8 t -67.12 -42.74 83.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.1 mt -55.99 -34.15 65.5 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 708' ' ' GLN . 78.0 mt -59.51 -45.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.354 . . . . 0.0 110.729 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 717' ' ' VAL . 5.6 m-20 -86.38 -20.41 28.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.376 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 718' ' ' ILE . 26.0 mt -69.96 -52.26 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.307 173.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.577 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 35.1 m-80 -58.21 -31.89 67.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 110.019 174.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . 0.625 ' O ' HD22 ' A' ' 720' ' ' LEU . 13.3 tptm -62.0 -48.97 77.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.632 177.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.553 HG11 HG11 ' A' ' 691' ' ' VAL . 72.4 t -55.18 -40.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.807 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.553 HD12 HD21 ' A' ' 731' ' ' LEU . 38.1 mm -61.28 -29.38 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.0 mt -70.5 -58.21 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -58.27 -58.72 7.22 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.512 0.672 . . . . 0.0 111.24 177.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -135.18 89.69 22.96 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.203 -173.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.31 8.77 3.7 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.919 2.413 . . . . 0.0 112.172 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 18.5 m -98.81 7.86 45.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 110.415 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 727' ' ' ALA . 28.6 mt -91.61 106.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.281 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.3 -36.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.409 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 15.2 mm-40 -61.03 -38.85 87.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.851 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.477 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -67.82 -42.52 81.36 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . 0.552 ' HB3' ' HZ2' ' A' ' 728' ' ' LYS . 4.0 mmmp? -55.5 -32.71 63.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.987 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 21.2 mmt -83.48 -19.12 36.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.029 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.6 mm-40 -84.47 -43.05 14.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.553 HD21 HD12 ' A' ' 718' ' ' ILE . 0.0 OUTLIER -63.21 -32.72 74.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.068 -179.133 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 10.9 pt-20 -74.04 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.105 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 35.1 tt0 -64.7 -53.65 44.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.46 ' HA ' HD11 ' A' ' 737' ' ' LEU . 85.4 t -62.68 -31.6 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.668 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.4 m -65.68 -36.52 83.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.293 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 34.3 mtm-85 -74.76 -30.84 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 79.5 mt -69.38 -40.09 77.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.178 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.31 -31.26 71.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.576 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.062 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 37.0 t80 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.098 0.475 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -56.33 -41.73 76.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.297 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -65.85 -57.51 7.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 648' ' ' GLU . 3.1 mm? -55.64 -41.72 73.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -61.69 -51.44 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.625 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -65.99 -45.39 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.327 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.77 -39.4 91.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.516 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.74 -45.63 95.36 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.778 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -54.98 -42.51 72.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.545 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.64 -36.96 85.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.009 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.1 m -66.75 -37.54 84.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.347 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.95 -44.67 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.471 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.61 -35.76 82.06 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.341 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.59 -7.29 52.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 65.95 30.01 9.97 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.685 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -107.61 68.02 0.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.452 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 57.1 m-85 -71.16 -30.0 65.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.173 -168.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -65.24 -29.45 70.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -88.41 -31.23 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.996 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.92 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.0 mt -54.36 -45.58 72.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.699 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 23.0 t -58.58 -48.09 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -59.01 -51.72 68.87 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.496 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.29 -32.95 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.821 -175.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 68.8 m -66.84 -30.26 70.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.721 0.296 . . . . 0.0 110.473 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 626' ' ' LEU . 70.6 mm-40 -72.23 -34.91 68.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 174.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . . . . . . . . . 73.9 m -57.27 -48.63 78.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.294 175.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.71 -36.99 82.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.228 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 51.0 mtpt -59.92 -27.66 66.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.509 . . . . 0.0 110.569 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.8 mt -91.71 -40.19 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.658 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 30.9 t30 -149.6 111.82 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.825 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -93.37 6.01 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.733 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -97.56 12.29 33.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.313 -176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.61 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 0.0 111.068 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.2 p -68.72 -20.5 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.782 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 52.0 mm -70.22 -46.88 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.25 -47.14 86.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.046 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 16.9 p -63.87 -34.42 77.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.412 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -73.94 -36.85 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.155 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -64.5 -43.17 94.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.004 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.551 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.42 -45.12 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.81 -39.56 74.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.771 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.82 -43.75 52.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -56.26 -40.66 74.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 86.6 mt -56.13 -36.63 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.845 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -73.34 -25.6 60.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.283 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.88 16.81 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 0.0 110.575 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.81 20.7 12.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.866 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.64 65.89 3.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.246 0.546 . . . . 0.0 110.25 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.023 -176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.23 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.99 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.85 -42.6 23.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.324 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.39 77.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.538 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.61 ' HZ3' ' CG ' ' A' ' 701' ' ' HIS . 11.6 ttmm -58.99 -41.52 87.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.764 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.63 -47.33 84.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.085 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -39.42 92.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.241 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.98 -39.51 89.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.063 0.458 . . . . 0.0 110.407 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 15.5 t70 -66.98 -47.25 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.323 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -60.33 -34.12 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.182 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.21 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.03 -29.46 66.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.141 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -63.52 -35.04 79.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.127 0.489 . . . . 0.0 110.376 176.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 46.3 mt -83.77 -45.37 13.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.415 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -127.33 104.27 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.73 89.61 4.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.711 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.64 24.44 0.54 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.884 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -86.0 107.1 17.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.497 HG11 HG11 ' A' ' 717' ' ' VAL . 84.0 t -57.05 -41.05 76.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.747 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.5 -38.76 85.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.79 76.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.702 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -64.99 -52.0 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.977 0.418 . . . . 0.0 110.765 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.6 t80 -58.67 -43.18 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.29 -20.75 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.287 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -70.87 -39.06 73.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.77 75.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.111 172.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.3 mt -59.29 -40.42 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.393 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -65.18 -29.56 70.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.33 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.61 ' CG ' ' HZ3' ' A' ' 677' ' ' LYS . 45.5 m-70 -79.03 -44.02 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.31 -0.244 . . . . 0.0 110.545 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -56.34 -42.42 77.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.48 -22.81 75.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.429 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.428 HD12 ' HZ1' ' A' ' 677' ' ' LYS . 64.8 mt -96.16 12.87 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt 66.45 27.66 9.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.193 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -104.07 84.59 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.647 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 23.7 m-85 -82.25 -34.82 28.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.652 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.0 -36.8 84.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 109.53 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.68 -41.68 71.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.801 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 13.6 t -67.26 -34.8 78.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.891 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.19 -34.4 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.219 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.99 -47.65 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 717' ' ' VAL . 72.2 m-20 -73.42 -33.11 64.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.151 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.515 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.3 mt -67.79 -51.87 43.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -59.44 -31.73 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.267 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 720' ' ' LEU . 26.8 tptt -63.46 -49.74 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 176.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.497 HG11 HG11 ' A' ' 691' ' ' VAL . 77.3 t -54.94 -37.07 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.464 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 714' ' ' LEU . 38.3 mm -62.98 -28.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.665 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.2 -50.37 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.997 0.427 . . . . 0.0 109.893 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 716' ' ' LYS . 10.1 mp -56.11 -59.79 4.41 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.934 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -130.5 90.43 41.0 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.276 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.73 5.56 2.85 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.149 2.566 . . . . 0.0 113.239 -177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 13.1 m -101.13 -3.53 29.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.064 0.459 . . . . 0.0 110.432 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.485 HG21 ' H ' ' A' ' 727' ' ' ALA . 18.5 mt -80.33 101.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.175 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.09 -40.62 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.2 pt-20 -58.69 -35.35 72.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.394 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.485 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -70.45 -33.81 71.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.021 0.438 . . . . 0.0 110.646 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 731' ' ' LEU . 97.8 mttt -72.77 -27.46 62.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.337 0.589 . . . . 0.0 109.733 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.26 -19.9 52.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.323 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.1 mm-40 -82.95 -46.31 13.08 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 732' ' ' GLU . 4.6 pp -60.73 -33.2 72.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 -178.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.541 ' N ' HD11 ' A' ' 731' ' ' LEU . 7.4 pt-20 -72.38 -38.95 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 9.0 tp10 -67.45 -50.44 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.293 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.435 ' HA ' HD13 ' A' ' 737' ' ' LEU . 88.5 t -61.21 -33.05 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.095 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 60.0 m -65.32 -38.7 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.507 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.498 HH21 ' CD ' ' A' ' 733' ' ' GLU . 46.7 mtm-85 -71.39 -34.15 70.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 83.4 mt -68.06 -44.2 76.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.591 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 53.0 tp -68.13 -29.41 68.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.678 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.108 179.127 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.7 t80 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.154 0.502 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . 0.409 ' HD2' ' H ' ' A' ' 624' ' ' LYS . 1.2 mptp? -68.01 -43.81 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.29 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.06 75.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.677 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . 0.45 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 81.3 mt -57.09 -44.87 83.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.659 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.88 -56.48 21.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.004 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.7 mm-40 -59.76 -44.76 93.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.626 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.48 -36.53 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.629 0.252 . . . . 0.0 110.334 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.417 ' O ' HG22 ' A' ' 634' ' ' VAL . . . -63.23 -40.83 99.52 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.592 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -59.46 -38.11 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 110.253 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 26.5 mm-40 -66.44 -31.49 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.588 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 56.1 m -72.46 -39.3 67.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.114 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 630' ' ' GLY . 93.9 t -62.2 -46.35 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.878 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.66 -25.26 62.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.006 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.26 -4.86 54.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.26 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 63.59 25.9 14.49 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.93 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.82 65.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.18 -29.26 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.06 -170.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.38 -32.44 73.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 26.5 t70 -82.71 -33.5 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.059 0.457 . . . . 0.0 109.924 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.62 84.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.807 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.18 -48.2 71.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.805 177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 33.5 t -60.74 -37.91 83.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.613 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 31.3 mmmt -67.89 -51.48 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -66.55 -32.17 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.593 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 49.6 m -68.49 -27.29 66.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.07 -23.31 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.2 m -66.51 -39.36 88.63 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.76 -10.82 60.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.757 0.789 . . . . 0.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -78.11 -26.43 48.01 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.912 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 40.7 mt -99.57 -51.46 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.26 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.499 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 33.7 t30 -139.86 132.84 29.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -173.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -122.2 18.23 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.401 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -105.68 10.82 32.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.312 0.577 . . . . 0.0 110.332 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.37 99.39 9.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.661 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 9.2 p -62.15 -25.4 67.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.71 72.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.344 . . . . 0.0 111.329 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 48.6 mm -66.35 -46.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.113 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -67.43 -45.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.334 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 25.8 p -63.62 -41.66 98.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.692 0.282 . . . . 0.0 111.383 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -75.78 -32.62 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -67.45 -38.95 85.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.453 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.66 -43.28 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.666 175.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.45 -42.4 82.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.9 -40.35 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.889 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.0 -40.36 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.382 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -57.65 -40.08 78.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.886 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.4 -32.55 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 67.8 mt -91.01 12.53 19.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.654 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 12.7 t 63.86 26.04 14.18 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.276 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -103.96 77.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 109.565 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -71.94 -42.4 66.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.5 -172.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.31 -37.52 75.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.504 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -68.32 -50.48 53.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.132 0.491 . . . . 0.0 109.912 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.76 -35.07 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.498 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.482 ' HE3' ' CE1' ' A' ' 701' ' ' HIS . 29.1 tttt -67.53 -47.2 70.59 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 -177.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 681' ' ' ASP . 47.2 mt-30 -68.59 -34.15 75.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.5 -46.35 89.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.574 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.65 -32.07 73.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.993 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 678' ' ' GLN . 28.1 m-20 -60.51 -45.62 93.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.0 mm100 -64.69 -39.5 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.754 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.44 93.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.49 -27.16 63.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.531 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.09 -20.31 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.4 mt -97.44 -43.27 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -122.81 103.78 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.991 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.13 89.15 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.104 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.55 16.13 1.35 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.054 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -75.21 105.24 6.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.516 HG11 HG11 ' A' ' 717' ' ' VAL . 88.7 t -59.01 -39.53 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.101 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.96 -32.2 73.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.617 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.88 66.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.66 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -66.01 -49.13 68.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.088 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.525 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 78.5 t80 -58.33 -43.9 88.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.513 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -80.36 -26.89 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.563 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -69.41 -36.93 77.19 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . 0.422 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -60.56 -47.47 86.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.754 174.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 88.6 mt -59.59 -39.21 83.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 677' ' ' LYS . . . -67.71 -50.9 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.482 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 38.8 m-70 -55.6 -42.61 75.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 110.144 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.84 -46.02 81.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.118 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.07 -21.02 73.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.444 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.43 6.54 48.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.362 . . . . 0.0 110.462 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 65.4 mttp 65.36 24.22 12.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -94.69 66.65 3.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -75.57 -33.8 60.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.382 -168.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.89 -33.59 76.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.372 0.606 . . . . 0.0 109.639 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.08 -43.19 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 20.0 t -62.31 -41.03 98.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.467 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.69 -31.35 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.699 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.81 -38.07 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.979 0.418 . . . . 0.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.44 ' O ' HG21 ' A' ' 717' ' ' VAL . 84.3 m-20 -79.08 -37.42 38.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.6 mt -65.06 -46.28 81.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.367 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.629 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 24.0 m-80 -62.22 -37.71 86.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.82 -44.51 90.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.404 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.516 HG11 HG11 ' A' ' 691' ' ' VAL . 76.2 t -60.65 -37.57 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.699 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 714' ' ' LEU . 42.6 mm -66.48 -29.45 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.054 0.454 . . . . 0.0 110.547 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 53.2 mt -76.84 -43.3 36.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.31 -48.04 58.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.815 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -144.35 91.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.111 0.481 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.88 7.64 2.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.008 2.472 . . . . 0.0 112.642 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.5 m -93.15 -5.95 49.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.428 HG22 ' H ' ' A' ' 727' ' ' ALA . 25.1 mt -84.02 103.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.151 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.1 -33.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.232 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.07 -46.85 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.784 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.428 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.99 -27.06 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 -177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.17 -31.88 70.82 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.291 0.567 . . . . 0.0 110.06 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.7 mmt -85.35 -27.88 25.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.851 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.471 ' O ' HG21 ' A' ' 734' ' ' VAL . 16.8 mm-40 -77.52 -45.01 26.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.341 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.431 ' HA ' HD11 ' A' ' 714' ' ' LEU . 0.3 OUTLIER -68.57 -30.09 68.78 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.083 -176.105 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.64 -35.81 75.54 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.92 -50.75 39.04 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.088 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 730' ' ' GLU . 86.4 t -58.46 -34.77 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 98.6 m -60.92 -41.32 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -76.47 -36.24 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.607 . . . . 0.0 109.598 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 734' ' ' VAL . 68.9 mt -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.747 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.18 -33.67 76.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.773 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.862 179.247 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.023 0.439 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -66.24 -41.54 89.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.645 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -65.29 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.664 -177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.75 -38.05 62.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -71.8 -36.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 629' ' ' GLU . 10.1 pt-20 -66.23 -43.32 86.96 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.735 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 628' ' ' GLU . 8.9 pt-20 -74.18 -28.85 61.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -62.45 -44.69 97.25 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.38 -36.1 73.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 110.446 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.3 mm-40 -66.35 -42.45 88.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.422 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 81.3 m -64.26 -36.92 85.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 630' ' ' GLY . 88.0 t -61.93 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.92 -24.47 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.845 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.5 -10.43 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.435 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 71.54 22.15 4.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.871 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -104.99 73.15 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.689 0.757 . . . . 0.0 109.11 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.484 ' CD2' ' HA ' ' A' ' 666' ' ' CYS . 77.8 m-85 -74.99 -32.05 61.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.688 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -58.89 -34.59 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.251 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 6.6 m-20 -86.22 -32.1 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.589 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.34 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 98.6 mt -52.5 -48.15 66.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 22.2 t -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.746 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 71.5 mmtt -58.13 -52.18 66.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.326 0.584 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -67.99 -28.36 67.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.415 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.3 m -65.96 -35.98 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.959 0.409 . . . . 0.0 110.335 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.01 -30.6 63.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.219 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.7 m -62.06 -42.64 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.263 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.5 -32.13 72.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.29 -29.56 70.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.37 0.605 . . . . 0.0 110.049 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.1 mt -90.36 -47.81 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.558 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -146.77 125.64 12.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -108.78 1.81 21.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . 0.407 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.8 mmtm -95.44 16.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.44 . . . . 0.0 110.949 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -105.53 108.07 19.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.468 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 15.7 p -67.21 -23.52 65.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.192 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.53 80.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.5 -53.21 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.653 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.488 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 63.2 m-85 -59.08 -47.11 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.556 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.6 p -60.61 -35.16 75.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -75.57 -39.06 58.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.117 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -61.7 -41.44 97.61 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.58 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.83 -46.56 84.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.56 -40.97 84.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 110.29 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 639' ' ' TYR . 84.7 m -65.01 -49.13 71.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.573 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 12.2 m-85 -56.11 -41.57 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.33 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.2 mt -55.36 -38.02 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.511 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 33.4 mmtp -77.28 -23.04 51.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.555 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.48 11.07 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.814 0.34 . . . . 0.0 110.341 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.95 20.98 12.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 48.1 mt-30 -90.05 65.54 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.323 0.582 . . . . 0.0 109.484 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 41.6 m-85 -69.13 -36.33 77.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.367 -172.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.76 -45.62 85.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.63 -36.66 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.341 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.34 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.999 0.428 . . . . 0.0 110.786 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.7 ttmt -56.43 -48.93 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.71 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -68.14 -38.42 82.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.496 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -64.78 -43.36 93.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.822 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.997 0.427 . . . . 0.0 110.122 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 16.1 t70 -63.89 -48.72 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.305 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.13 -35.26 74.89 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.22 83.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.747 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.13 -29.63 60.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 72.5 mm-40 -60.63 -35.36 75.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.298 0.57 . . . . 0.0 109.766 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 655' ' ' LYS . 30.5 mt -88.46 -38.47 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.101 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.78 104.14 7.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.58 88.92 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.539 . . . . 0.0 110.076 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.77 20.09 0.7 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.762 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -86.74 107.13 18.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.524 HG13 HG11 ' A' ' 717' ' ' VAL . 50.2 t -58.42 -41.46 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.609 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.12 -36.4 77.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -44.49 68.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.57 -51.9 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.466 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.9 t80 -59.52 -41.63 90.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.329 -175.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.41 -25.71 38.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.565 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -71.31 -36.37 71.58 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.65 98.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.496 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 92.2 mt -64.94 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -63.31 -50.88 68.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.492 177.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.504 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 49.3 m-70 -61.06 -39.04 88.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.922 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.71 -38.64 72.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.817 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.76 -29.77 58.86 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.527 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.59 7.84 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 110.99 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 65.42 33.62 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . 0.423 ' HB3' ' CG ' ' A' ' 709' ' ' LYS . 42.4 m-80 -106.62 65.91 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -70.99 -32.03 68.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.3 tp-100 -66.28 -40.04 89.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.161 0.505 . . . . 0.0 109.667 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 706' ' ' ASN . 29.0 mmtp -69.3 -41.47 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.0 t -62.02 -42.83 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.116 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.13 -34.38 71.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.496 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.6 mt -62.81 -35.85 72.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.012 0.434 . . . . 0.0 110.474 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 717' ' ' VAL . 63.9 m-20 -81.51 -36.52 29.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.564 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.0 mt -66.36 -48.13 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.526 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.415 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.1 m-80 -61.9 -31.24 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 176.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . 0.613 ' O ' HD21 ' A' ' 720' ' ' LEU . 17.7 tptm -66.08 -45.16 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.355 176.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.524 HG11 HG13 ' A' ' 691' ' ' VAL . 71.4 t -55.72 -38.6 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.704 175.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.8 mm -62.04 -25.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.628 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.0 mt -75.57 -55.53 5.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.738 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . 0.613 HD21 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -57.52 -59.02 5.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.377 0.608 . . . . 0.0 111.256 176.015 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.36 95.08 8.31 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.193 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 8.41 3.85 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.032 2.488 . . . . 0.0 112.729 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 5.4 t -96.01 -7.54 36.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.423 0.63 . . . . 0.0 109.583 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . . . . . . . . . 21.4 mt -74.06 108.15 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.882 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.6 mm -60.68 -38.67 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.333 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -56.88 -45.88 82.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.75 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.808 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . 0.524 ' HB3' ' HZ2' ' A' ' 728' ' ' LYS . 4.0 mmmp? -72.99 -27.81 62.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.318 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 729' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.9 mmt -86.41 -22.65 26.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.95 -52.13 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.626 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.2 -25.3 67.64 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.108 -173.341 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.493 ' N ' HD12 ' A' ' 731' ' ' LEU . 6.2 pt-20 -72.46 -36.67 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.969 0.414 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.477 ' CD ' HH21 ' A' ' 736' ' ' ARG . 8.8 tp10 -79.68 -43.64 22.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.411 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.523 ' HA ' HD11 ' A' ' 737' ' ' LEU . 94.0 t -60.88 -32.56 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 -34.51 78.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 733' ' ' GLU . 55.7 mtm-85 -79.73 -37.49 35.44 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 734' ' ' VAL . 83.4 mt -60.84 -43.18 98.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.424 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.92 -33.35 75.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.763 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.726 -179.443 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.159 0.505 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -64.57 -54.86 25.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.513 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.56 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.331 0.395 . . . . 0.0 111.319 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 70.0 mt -62.44 -44.95 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . 0.497 ' HZ1' ' HB3' ' A' ' 627' ' ' LYS . 6.3 ttpm? -69.18 -44.83 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.164 -175.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.57 -31.33 66.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.43 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.7 -38.39 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.753 0.311 . . . . 0.0 110.244 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.15 84.89 Favored Glycine 0 N--CA 1.454 -0.141 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.048 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.941 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.1 -29.62 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 64.9 m -61.5 -39.46 91.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.45 -42.75 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.28 -34.18 77.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.29 -5.75 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.308 0.575 . . . . 0.0 110.851 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.76 35.14 6.99 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.174 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -106.22 65.03 0.68 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.484 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 78.1 m-85 -69.62 -27.8 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.188 -170.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . 0.461 ' HZ3' HD21 ' A' ' 670' ' ' LEU . 54.0 mttm -60.54 -36.63 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.155 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.88 -38.41 25.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.61 -36.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.209 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 78.8 mt -52.77 -48.78 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 23.0 t -64.29 -43.38 94.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.472 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -59.82 -48.37 81.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -69.65 -29.96 67.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.1 m -69.79 -28.6 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.393 . . . . 0.0 110.29 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 644' ' ' SER . 21.2 mm-40 -69.13 -36.54 77.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.803 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . . . . . . . . . 77.0 m -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.24 -37.97 75.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.084 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.03 -24.28 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.763 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 29.9 mt -92.65 -41.08 12.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.349 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -152.85 113.75 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.434 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -96.65 6.03 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.94 0.4 . . . . 0.0 110.398 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . 0.41 ' C ' HD13 ' A' ' 686' ' ' LEU . 47.8 mmtm -92.77 -0.34 57.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.727 -178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -94.56 112.5 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.182 0.515 . . . . 0.0 111.063 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.0 p -66.72 -28.78 68.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.633 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.31 79.26 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 50.3 mm -61.87 -48.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -60.51 -44.52 95.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.179 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 48.7 p -64.99 -31.85 73.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.94 0.4 . . . . 0.0 111.41 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -78.75 -36.39 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.708 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -65.2 -41.59 94.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.78 -45.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.249 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.64 -40.28 78.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.092 0.472 . . . . 0.0 110.644 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.73 -41.45 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.552 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -61.24 -40.9 95.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.214 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 90.8 mt -57.37 -44.23 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.484 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 14.2 mptt -70.02 -24.85 63.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.832 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . 0.461 HD21 ' HZ3' ' A' ' 640' ' ' LYS . 32.0 mt -96.55 12.94 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.254 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 62.87 28.67 16.47 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.073 0.463 . . . . 0.0 111.372 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.11 60.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.672 0.748 . . . . 0.0 109.659 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.29 -35.25 79.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.052 -173.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.62 -38.68 88.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -77.26 -35.37 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.476 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.64 93.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.406 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.1 ttmt -54.58 -47.64 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.627 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.94 -42.15 97.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.374 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 62.0 m -63.68 -40.33 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.7 t70 -65.62 -39.44 91.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.059 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 0.0 OUTLIER -63.78 -37.38 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.582 175.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.2 mt -70.74 -28.19 64.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.351 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 25.4 mt-30 -64.36 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.185 0.516 . . . . 0.0 109.876 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.3 mt -81.33 -44.71 17.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.35 104.04 7.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.71 92.57 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.395 0.617 . . . . 0.0 109.901 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.09 15.13 0.71 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.186 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -84.84 109.55 18.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 109.597 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.504 HG11 HG13 ' A' ' 717' ' ' VAL . 98.5 t -55.5 -42.28 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.702 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 67.6 mttm -62.01 -39.58 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.14 83.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -64.07 -47.82 78.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.208 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.663 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.6 t80 -61.36 -45.93 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.127 -176.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -65.41 -39.17 91.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.476 0.179 . . . . 0.0 110.855 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . 0.413 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 47.3 ttp180 -68.34 -39.67 81.84 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.481 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.685 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 78.3 mt -66.46 -38.28 87.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.44 70.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.532 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.8 m-70 -59.59 -38.2 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.958 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -57.38 -41.76 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.379 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.66 -22.65 74.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 56.3 mt -94.15 10.57 33.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.981 0.42 . . . . 0.0 110.246 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.09 34.17 23.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.149 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 92.3 m-20 -105.17 67.66 0.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.314 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.423 -168.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.574 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -66.07 -36.64 83.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.498 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.5 t -63.41 -42.41 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 45.9 mt -57.92 -34.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.442 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 708' ' ' GLN . 79.7 mt -58.69 -46.55 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.608 177.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 717' ' ' VAL . 68.3 m-20 -76.53 -32.65 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.574 ' O ' HG12 ' A' ' 718' ' ' ILE . 95.9 mt -67.61 -48.4 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.5 m-80 -60.82 -26.87 67.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.637 175.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . 0.588 ' O ' HD22 ' A' ' 720' ' ' LEU . 15.2 tptm -72.47 -44.89 61.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.476 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.504 HG13 HG11 ' A' ' 691' ' ' VAL . 72.4 t -57.05 -37.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.2 mm -62.65 -25.39 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.623 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 46.6 mt -73.43 -58.58 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.687 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.4 OUTLIER -58.61 -59.1 5.92 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 111.29 177.319 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -130.24 89.75 43.89 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.987 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.97 3.93 6.18 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.048 2.499 . . . . 0.0 113.395 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.3 m -99.24 -0.11 42.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.68 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.414 HG23 ' H ' ' A' ' 727' ' ' ALA . 18.0 mt -80.68 102.74 6.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' A' ' 729' ' ' MET . 48.5 mm -60.5 -38.01 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.638 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.0 mm-40 -57.05 -41.47 78.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.837 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.414 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -69.91 -32.24 70.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.722 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -71.21 -27.36 63.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.29 0.567 . . . . 0.0 110.079 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 729' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.6 mmt -85.81 -25.16 26.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.433 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 18.0 mm-40 -75.01 -49.23 20.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.797 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -67.57 -26.29 66.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.884 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.94 -37.31 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.731 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 31.2 tt0 -66.64 -50.62 62.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.475 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -61.94 -30.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.214 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 88.8 m -64.08 -38.68 91.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.258 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 58.2 mtm-85 -75.64 -29.67 59.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 109.699 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 734' ' ' VAL . 79.1 mt -69.64 -37.94 76.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.91 174.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.06 -31.87 70.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.395 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.547 176.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 89.0 t80 . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -64.67 -43.11 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.125 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -63.0 -45.88 90.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.512 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.69 -44.77 95.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.471 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.68 -48.67 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.513 . . . . 0.0 110.694 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.41 -21.71 48.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.328 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.03 -32.0 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.0 -35.98 92.53 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.5 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.87 -41.14 86.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 110.156 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.15 -38.18 89.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.717 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.18 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.427 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -40.44 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.679 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -65.31 -33.47 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.659 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.45 -0.76 47.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.741 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp 67.31 28.98 7.77 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.67 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 641' ' ' ASP . 47.4 t30 -104.12 76.9 1.38 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.058 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.482 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 49.4 m-85 -77.89 -34.62 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.297 -170.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.41 -35.05 78.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.77 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . 0.422 ' HB2' ' ND2' ' A' ' 638' ' ' ASN . 1.1 m-20 -89.25 -25.25 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.665 0.269 . . . . 0.0 110.672 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.92 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.224 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 90.8 mt -54.16 -45.7 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.539 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 14.9 m -63.87 -40.0 95.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.801 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.5 -48.25 82.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.559 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -70.29 -26.6 63.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.209 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 19.2 t -68.5 -33.87 74.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.5 mm-40 -64.1 -34.89 79.07 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.976 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 61.1 m -66.45 -38.57 87.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.723 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.73 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.273 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -75.69 -31.73 59.84 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.988 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 50.3 mt -98.15 -53.07 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.094 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.474 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 8.8 t30 -140.58 110.35 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 111.633 -171.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -102.61 20.22 17.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.864 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -95.72 -11.31 27.24 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.268 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . 0.41 ' CG ' HG12 ' A' ' 659' ' ' ILE . 9.3 tp10 -85.68 98.24 10.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.657 -177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.308 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.4 71.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.428 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.41 HG12 ' CG ' ' A' ' 656' ' ' GLU . 48.0 mm -65.47 -45.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.19 0.519 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 97.3 m-85 -64.95 -44.68 88.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.854 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -65.39 -33.36 75.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -72.65 -39.37 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.863 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -64.49 -46.67 81.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.616 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.704 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.39 -46.98 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.788 176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 75.3 m -65.68 -45.02 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -56.26 -33.62 65.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.655 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.2 mt -58.8 -33.64 70.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 669' ' ' LYS . 0.4 OUTLIER -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.125 -177.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.58 7.74 25.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.095 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 22.5 t 64.81 23.97 12.75 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.375 0.607 . . . . 0.0 110.876 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -100.89 55.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.526 0.679 . . . . 0.0 109.794 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -62.68 -31.33 72.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.526 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.93 -38.95 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.837 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.73 -33.28 25.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.675 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.69 82.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.958 0.408 . . . . 0.0 110.736 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -56.22 -44.8 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.725 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.14 -39.72 63.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.297 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -61.58 -44.64 96.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.7 m -60.54 -34.61 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.565 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 27.4 t70 -67.03 -48.84 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.524 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.8 mm100 -59.69 -34.16 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.42 96.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.629 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.74 -26.14 61.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 80.6 mm-40 -65.42 -37.25 86.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.236 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 40.3 mt -80.31 -42.63 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.343 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.65 103.79 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.315 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.46 89.78 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.374 0.607 . . . . 0.0 110.214 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 136.59 32.57 0.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.861 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.513 HG12 HG13 ' A' ' 717' ' ' VAL . 61.5 t -58.64 -37.5 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.556 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.15 -36.64 78.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.7 -42.92 70.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.297 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -65.74 -49.77 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.501 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 85.7 t80 -60.1 -41.01 91.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.309 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.39 -22.88 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.593 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . 0.447 ' HD2' ' OD2' ' A' ' 713' ' ' ASP . 23.2 ttm180 -70.15 -39.33 75.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 170.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.34 91.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.4 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -65.08 -37.03 86.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.04 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -61.79 -38.99 90.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.599 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -57.18 -41.0 78.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.431 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.91 -24.76 76.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.331 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 53.7 mt -94.09 10.35 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.18 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.28 28.13 17.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.325 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -96.35 70.42 2.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 737' ' ' LEU . 27.0 m-85 -77.32 -28.46 53.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.271 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.582 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -67.3 -39.4 85.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.515 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -68.94 -47.09 66.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.668 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.7 t -59.35 -42.3 91.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.475 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.59 -42.79 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.994 0.426 . . . . 0.0 110.302 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 717' ' ' VAL . 25.6 m-20 -77.34 -33.62 55.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 731' ' ' LEU . 98.9 mt -68.31 -47.04 68.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 42.2 m-80 -62.16 -29.83 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.656 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -66.77 -43.94 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.513 HG13 HG12 ' A' ' 691' ' ' VAL . 80.5 t -58.23 -36.15 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.379 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.2 mm -65.4 -29.34 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 110.662 178.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.6 mt -76.73 -39.85 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.293 0.568 . . . . 0.0 110.504 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 80.1 mt -76.86 -44.82 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.687 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -145.77 94.05 5.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.013 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.25 3.92 5.32 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.981 2.454 . . . . 0.0 113.309 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 35.7 m -98.73 -1.54 40.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.94 0.4 . . . . 0.0 110.536 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.433 HG22 ' H ' ' A' ' 727' ' ' ALA . 17.4 mt -78.87 99.67 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.502 . . . . 0.0 110.082 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.71 -35.0 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.457 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.79 -42.84 76.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.822 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.433 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -71.3 -33.2 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.4 -30.36 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.5 mmt -86.03 -25.76 25.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.152 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.13 -44.66 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 714' ' ' LEU . 0.4 OUTLIER -68.07 -26.7 65.98 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.765 -176.504 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.4 pt-20 -73.31 -37.9 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 6.9 tp10 -66.05 -51.19 60.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.826 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' A' ' 737' ' ' LEU . 89.3 t -62.39 -33.63 60.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.522 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 96.2 m -63.47 -37.22 86.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -77.82 -38.77 45.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 734' ' ' VAL . 91.4 mt -58.36 -42.52 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 174.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.06 -30.84 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.834 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.467 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 73.6 t80 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.24 0.543 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 59.9 mttp -71.57 -41.27 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.784 -176.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.8 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.41 . . . . 0.0 110.629 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.17 -41.27 92.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.701 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -64.52 -49.32 71.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.42 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 46.6 mt-10 -60.0 -52.61 64.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.419 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.41 -29.87 68.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.656 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . 0.407 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -62.45 -41.92 99.74 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.47 -40.14 85.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.054 0.454 . . . . 0.0 110.128 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.3 mm-40 -62.53 -39.14 92.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.98 -41.48 95.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.303 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 630' ' ' GLY . 92.3 t -59.9 -47.47 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.756 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -67.32 -31.86 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.073 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.07 3.81 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.298 0.571 . . . . 0.0 110.496 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm 62.28 29.34 17.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.302 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -108.65 73.03 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.65 0.738 . . . . 0.0 109.073 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.52 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -74.63 -23.09 58.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.516 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -59.31 -45.92 89.99 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.773 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -75.59 -36.22 60.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.43 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.658 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -52.18 -50.91 60.92 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 648' ' ' GLU . 12.9 m -64.02 -46.05 86.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.879 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.2 -46.49 90.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.519 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -67.71 -31.96 72.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.403 . . . . 0.0 110.79 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 53.5 m -71.38 -23.61 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.11 0.481 . . . . 0.0 110.437 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 644' ' ' SER . 45.1 mt-10 -76.45 -28.41 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.063 173.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 84.1 m -65.61 -45.24 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.163 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.76 -28.46 68.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.313 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 647' ' ' SER . 65.3 mttp -61.86 -26.55 68.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 110.605 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.29 -46.74 12.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.778 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 34.2 t30 -142.16 122.91 14.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.614 -178.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -105.21 6.48 33.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -100.42 16.43 24.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.999 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -105.9 98.35 8.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.056 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . 0.405 ' HB2' ' HB1' ' A' ' 683' ' ' ALA . 29.8 p -59.89 -25.99 65.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.703 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.89 -28.79 70.29 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.568 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.0 mm -71.18 -44.09 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 110.153 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.5 m-85 -63.29 -44.64 94.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.17 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.5 p -66.07 -32.66 74.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -74.59 -38.59 62.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.074 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -64.09 -42.64 96.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.679 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.6 -45.7 81.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.42 -42.16 77.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.9 m -68.03 -46.82 70.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.669 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 17.8 m-85 -56.36 -38.23 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.458 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 93.6 mt -56.4 -36.12 68.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.9 -37.4 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.74 14.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.593 0.235 . . . . 0.0 111.155 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 9.8 t 66.17 21.04 11.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.066 174.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 76.1 mt-30 -100.79 65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.401 0.62 . . . . 0.0 109.941 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 65.2 m-85 -69.42 -32.18 70.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.954 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.53 -42.58 78.26 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . 0.559 ' HA ' ' NE2' ' A' ' 678' ' ' GLN . 11.6 mm-40 -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.58 -43.38 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.194 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.595 ' HZ2' ' CG ' ' A' ' 701' ' ' HIS . 11.7 ttmm -57.74 -42.39 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . 0.559 ' NE2' ' HA ' ' A' ' 675' ' ' GLU . 37.0 mt-30 -59.28 -46.47 88.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.995 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.6 OUTLIER -63.2 -38.38 90.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 62.1 m -57.37 -49.25 76.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -65.17 -33.47 76.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.563 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.57 -27.39 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.211 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 657' ' ' CYS . . . -80.88 -26.93 36.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.286 0.565 . . . . 0.0 109.763 -176.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 694' ' ' PHE . 4.5 mm? -73.34 -31.5 64.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.558 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.62 -34.93 78.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.136 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.0 mt -84.59 -44.54 13.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.424 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.76 104.34 7.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.87 90.57 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.182 0.515 . . . . 0.0 110.158 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.46 21.57 1.03 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.09 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.59 105.5 11.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 110.27 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.48 HG12 HG11 ' A' ' 717' ' ' VAL . 87.3 t -58.25 -38.17 67.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.229 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 76.0 mmtt -56.65 -35.42 68.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.441 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -77.59 -38.13 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.456 -176.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 684' ' ' LEU . 60.7 m-85 -66.44 -40.57 89.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 110.035 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.535 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 60.1 t80 -60.94 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.5 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.8 mmt180 -66.17 -46.05 78.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . 0.461 ' HD2' ' OD1' ' A' ' 713' ' ' ASP . 19.2 ttm180 -58.57 -41.64 86.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.75 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.85 75.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 80.0 mt -62.42 -37.55 86.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.229 0.537 . . . . 0.0 110.209 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -68.7 -27.43 65.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.439 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.595 ' CG ' ' HZ2' ' A' ' 677' ' ' LYS . 45.1 m-70 -80.75 -39.84 26.25 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.123 -0.36 . . . . 0.0 110.128 173.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.832 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.55 -20.81 74.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.947 -0.645 . . . . 0.0 112.851 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . 0.478 HD13 ' HZ3' ' A' ' 677' ' ' LYS . 60.3 mt -94.93 6.6 48.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 64.33 28.35 13.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.021 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -98.7 64.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -73.12 -30.83 63.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.491 -171.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -65.07 -32.18 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.627 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -81.83 -42.3 19.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.789 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.3 t -61.3 -40.58 94.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.233 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.3 -32.69 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.448 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.33 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.974 0.416 . . . . 0.0 110.428 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 697' ' ' ARG . 38.4 m-20 -79.38 -36.11 39.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.7 mt -64.36 -46.57 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.246 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.632 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 19.0 m-80 -60.13 -38.72 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.89 -42.86 90.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.289 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.48 HG11 HG12 ' A' ' 691' ' ' VAL . 74.2 t -59.57 -41.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.636 175.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -64.0 -33.26 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 110.746 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.8 mt -73.96 -39.85 63.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.03 -47.12 21.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.712 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -142.92 88.72 8.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.005 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.6 5.54 4.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.844 2.363 . . . . 0.0 113.299 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 22.3 m -96.93 -0.06 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.222 0.534 . . . . 0.0 110.206 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . . . . . . . . . 19.7 mt -82.27 106.25 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.398 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.25 -33.91 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.558 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -53.57 -49.36 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.406 ' O ' HD11 ' A' ' 731' ' ' LEU . . . -68.7 -29.41 67.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.03 -178.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -72.48 -30.05 64.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.34 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.48 -28.62 23.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -77.19 -47.2 20.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.886 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -25.46 66.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.863 -174.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.583 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.0 pt-20 -77.09 -29.85 55.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 109.71 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.18 -46.22 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.094 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.0 t -59.94 -34.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.224 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 52.9 m -66.26 -35.31 80.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.525 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -72.05 -41.15 67.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 734' ' ' VAL . 49.3 mt -59.32 -40.3 85.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.752 175.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.4 -35.08 78.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.086 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.342 -179.22 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 84.2 t80 . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 30.1 mtpp -61.31 -46.83 88.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.14 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -59.09 -49.32 78.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.13 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.68 -41.38 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.111 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -58.91 -41.09 86.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 38.8 mt-10 -73.34 -48.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.694 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 11.1 pt-20 -70.54 -26.59 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.841 -177.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.6 -37.12 88.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.72 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.74 -34.99 79.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.108 0.48 . . . . 0.0 110.295 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.307 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.38 -40.44 90.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.784 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.21 -42.49 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.002 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -73.89 -24.43 59.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.44 . . . . 0.0 110.712 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.98 -7.07 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.028 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 67.27 25.55 8.8 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.391 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -107.88 69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.113 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' TYR . . . . . 0.474 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 91.2 m-85 -70.64 -30.83 67.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.972 -172.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -66.39 -25.87 66.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.66 -36.24 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.893 0.377 . . . . 0.0 110.127 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.58 70.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.296 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 643' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 92.8 mt -54.02 -50.89 65.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.417 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 7.1 m -58.99 -45.37 90.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.45 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.96 -55.92 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' TYR . . . . . 0.434 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 24.4 m-85 -67.63 -32.92 73.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.71 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -67.08 -33.13 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.813 0.339 . . . . 0.0 110.681 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 644' ' ' SER . 12.3 mm-40 -72.63 -25.19 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' CYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 82.0 m -67.28 -36.8 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.99 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.99 -11.72 61.08 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 121.466 0.65 . . . . 0.0 111.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -76.39 -26.13 55.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.343 0.592 . . . . 0.0 109.755 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.67 -51.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.167 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' ASN . . . . . 0.474 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 41.0 t30 -139.25 128.77 24.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -174.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -118.88 16.89 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.082 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.16 10.75 37.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 0.0 110.365 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.79 100.77 10.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.849 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 29.1 p -62.02 -26.11 68.05 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.24 88.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.97 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' ILE . . . . . 0.672 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 49.8 mm -59.0 -34.96 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -74.56 -43.27 56.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.908 0.385 . . . . 0.0 110.913 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 14.9 p -67.54 -38.84 84.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -82.02 -24.49 35.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.66 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' ARG . . . . . 0.672 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -69.0 -41.33 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.71 -43.67 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.912 176.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.84 -40.85 81.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.04 0.447 . . . . 0.0 110.496 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 68.6 m -67.24 -45.4 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.37 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -58.28 -37.18 74.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.321 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -60.42 -31.61 70.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -79.46 -32.06 42.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.191 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.78 16.74 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.65 0.262 . . . . 0.0 110.812 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 48.6 t 57.52 39.81 27.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.382 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -110.4 67.53 0.65 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.338 0.589 . . . . 0.0 109.613 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -65.94 -39.75 90.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.612 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.96 -37.21 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.311 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -72.35 -51.07 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.279 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.77 -35.6 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.005 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' LYS . . . . . 0.485 ' HE3' ' CE1' ' A' ' 701' ' ' HIS . 26.4 tttt -68.4 -39.64 81.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.707 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.03 -33.14 61.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.699 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.26 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.729 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 74.3 m -63.33 -31.64 72.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 11.5 t70 -65.15 -44.64 87.94 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.8 mm100 -59.4 -39.76 84.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.438 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.29 95.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.959 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.41 -32.49 71.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -59.33 -35.13 73.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 28.2 mt -88.69 -40.99 12.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.752 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.79 103.18 7.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.49 95.31 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.374 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 125.85 19.24 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.06 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -82.84 105.18 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . 0.468 HG13 HG12 ' A' ' 717' ' ' VAL . 97.8 t -60.32 -38.21 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.157 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.0 -32.04 70.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.5 54.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.762 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -64.85 -50.14 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' TYR . . . . . 0.52 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 79.9 t80 -59.15 -47.26 85.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.639 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.8 -23.22 49.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.428 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' ARG . . . . . 0.408 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 34.5 ttp180 -72.57 -37.65 68.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.66 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.513 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 71.1 mt -65.2 -39.05 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.111 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.36 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.705 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 701' ' ' HIS . . . . . 0.485 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 36.2 m-70 -55.57 -43.94 76.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -56.13 -44.74 79.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.687 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.74 75.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.336 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 69.5 mt -93.75 7.75 43.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.462 . . . . 0.0 110.038 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 62.84 31.31 16.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.907 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -100.0 72.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -76.14 -37.28 58.2 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.362 -169.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 708' ' ' GLN . . . . . 0.574 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -65.43 -36.9 85.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.228 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.36 -43.0 64.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.804 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.2 t -61.49 -40.77 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.07 -32.86 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.625 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 712' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 708' ' ' GLN . 68.4 mt -63.43 -42.25 95.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.89 0.376 . . . . 0.0 110.197 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 713' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.7 m-20 -73.36 -39.44 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . 0.527 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.1 mt -65.05 -47.73 76.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . 0.613 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 14.1 m-80 -59.37 -36.73 76.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.683 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -62.8 -43.21 99.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.667 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 717' ' ' VAL . . . . . 0.468 HG12 HG13 ' A' ' 691' ' ' VAL . 83.7 t -59.97 -37.71 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.254 176.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 718' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 714' ' ' LEU . 48.2 mm -64.28 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.657 177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 719' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 61.8 mt -78.84 -46.41 18.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.114 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.08 -44.23 60.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.87 88.64 8.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.84 6.87 3.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.859 2.373 . . . . 0.0 113.035 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.2 m -99.14 -2.0 38.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 724' ' ' ILE . . . . . 0.443 HG23 ' H ' ' A' ' 727' ' ' ALA . 27.0 mt -80.63 103.69 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 47.4 mm -61.84 -35.48 68.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.421 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.55 -46.86 70.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.699 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 727' ' ' ALA . . . . . 0.443 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -68.24 -32.79 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -67.12 -31.5 71.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.258 0.551 . . . . 0.0 110.192 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 729' ' ' MET . . . . . 0.456 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 23.8 mmt -86.39 -23.43 26.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.051 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.95 -44.77 16.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.4 -29.64 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.986 -0.685 . . . . 0.0 110.552 -177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 732' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -71.02 -27.93 64.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.017 0.437 . . . . 0.0 109.826 178.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.62 -51.85 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.406 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 734' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.9 t -62.49 -32.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 56.4 m -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 110.387 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -80.98 -31.85 34.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 737' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.1 mt -64.72 -45.93 84.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.149 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.03 -28.55 69.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.369 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.031 0.444 . . . . 0.0 111.373 -179.452 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.5 120.25 7.81 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.878 2.385 . . . . 0.0 112.253 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.55 74.61 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 37.3 ttm -75.74 121.26 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.273 0.558 . . . . 0.0 110.959 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 42.0 p -114.54 -173.84 2.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.059 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.8 t80 -56.01 -42.72 76.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.122 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -68.78 -41.42 78.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.709 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.11 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.417 ' CB ' ' HG ' ' A' ' 649' ' ' CYS . 44.7 mt -62.55 -38.73 91.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.21 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.245 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.29 -50.55 71.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.51 -34.32 77.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.919 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -60.82 -42.7 99.63 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.486 173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.25 -35.78 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 110.554 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 642' ' ' ALA . 45.7 m -60.09 -36.49 77.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.767 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 630' ' ' GLY . 94.5 t -63.71 -45.07 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -71.75 -27.8 63.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 110.828 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.98 -6.81 58.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.287 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 66.97 23.98 9.7 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.16 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -107.2 70.94 0.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -73.1 -26.43 61.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.181 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -65.77 -30.01 70.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.85 -34.09 30.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 633' ' ' CYS . . . -58.05 -38.95 77.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.0 mt -52.52 -48.46 66.02 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.517 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.3 m -59.42 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.989 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -58.11 -51.3 70.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.3 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 53.1 m -71.14 -28.56 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.249 -0.282 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.23 -31.09 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.038 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.515 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.9 m -62.44 -36.12 81.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.11 174.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 89.4 mt -72.62 -10.84 60.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.396 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -82.24 -27.61 32.36 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.201 0.524 . . . . 0.0 109.816 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.7 mt -92.46 -50.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.143 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -149.72 124.29 9.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -111.21 18.82 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.318 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -101.68 11.82 38.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.058 0.456 . . . . 0.0 110.734 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . 0.489 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.0 tp10 -104.25 98.48 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.492 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.38 -21.23 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.895 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.77 79.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.898 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.489 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.5 mm -66.05 -48.57 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.89 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.404 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 72.6 m-85 -64.06 -47.22 81.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.653 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.3 p -61.83 -38.62 88.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.695 0.283 . . . . 0.0 111.484 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -80.13 -29.97 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.55 0.214 . . . . 0.0 111.082 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.6 ttp180 -68.56 -39.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.92 92.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.65 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . 0.524 ' O ' ' HG2' ' A' ' 669' ' ' LYS . 54.3 tp -58.83 -43.68 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.1 m -62.3 -38.53 89.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.623 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . 0.404 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 14.8 m-85 -63.98 -42.85 97.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 96.0 mt -57.94 -35.56 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 665' ' ' LEU . 31.2 mmmt -76.75 -19.59 57.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.66 12.67 35.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.347 . . . . 0.0 110.412 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.4 m 63.69 21.05 12.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.651 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 50.6 mt-30 -94.01 72.89 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 109.701 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.444 ' O ' ' HB1' ' A' ' 700' ' ' ALA . 45.2 m-85 -71.57 -39.66 70.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.216 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.65 -37.84 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.938 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.11 -47.41 65.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.211 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.642 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.503 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -56.66 -44.66 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -71.19 -40.07 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.999 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -62.17 -40.42 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.692 176.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.4 -36.44 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.813 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.49 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.2 t70 -66.76 -42.42 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.112 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.452 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.3 mm100 -59.12 -35.37 73.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.75 82.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.894 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 52.3 mt -70.72 -29.21 65.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 80.0 mt-30 -61.74 -30.78 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.403 . . . . 0.0 110.336 174.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 41.9 mt -86.92 -45.9 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.287 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.71 103.45 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.954 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.22 90.93 4.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 139.41 12.16 0.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.773 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.4 106.28 10.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.485 HG12 HG11 ' A' ' 717' ' ' VAL . 63.8 t -59.7 -36.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.432 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.62 -37.91 79.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.56 71.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.986 -177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -67.3 -50.85 58.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.053 0.454 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.575 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 88.0 t80 -59.1 -45.87 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.261 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -77.26 -22.95 51.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -72.17 -39.83 68.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.512 175.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 68.4 mt -63.53 -43.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.826 175.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 673' ' ' PHE . . . -61.25 -50.19 74.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.903 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.503 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 42.0 m-70 -59.64 -42.23 92.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.94 -43.34 86.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.389 . . . . 0.0 110.262 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.83 74.36 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.517 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.12 9.24 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.047 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 66.21 23.11 10.92 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.212 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.58 78.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -79.68 -35.78 38.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.335 -170.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.469 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.8 tp-100 -65.08 -42.06 94.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.73 -45.42 89.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.173 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 32.0 t -61.94 -41.47 98.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.078 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.94 -33.47 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.291 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 708' ' ' GLN . 77.9 mt -62.67 -39.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.445 ' O ' HG21 ' A' ' 717' ' ' VAL . 44.1 m-20 -78.85 -35.49 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.512 ' O ' HG12 ' A' ' 718' ' ' ILE . 89.2 mt -66.59 -49.15 67.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.669 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 31.8 m-80 -57.89 -38.45 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.712 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -61.3 -40.67 95.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.493 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.485 HG11 HG12 ' A' ' 691' ' ' VAL . 72.8 t -61.63 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.0 mm -63.82 -31.17 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 44.2 mt -74.89 -39.89 61.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 110.551 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.66 -47.96 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.222 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -141.93 86.44 10.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.637 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.15 10.04 2.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.757 2.304 . . . . 0.0 112.307 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 41.2 t -94.41 -6.53 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.723 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.9 mt -82.19 105.02 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.341 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.35 -36.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.602 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.529 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 10.0 mm-40 -56.95 -41.36 78.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.669 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.404 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.39 -32.31 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -67.85 -25.57 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.316 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.2 mmt -85.64 -24.0 27.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.394 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 13.1 mm-40 -79.73 -49.13 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -175.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -68.07 -21.83 64.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.916 -175.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 7.6 pt-20 -77.64 -34.51 53.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -75.1 -50.03 17.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.897 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.489 ' HA ' HD11 ' A' ' 737' ' ' LEU . 98.6 t -62.19 -31.28 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.376 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 63.5 m -66.47 -32.66 74.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.848 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.543 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 20.9 mtm180 -74.11 -38.32 63.87 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' A' ' 734' ' ' VAL . 73.2 mt -61.3 -43.63 98.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.258 174.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.04 -31.52 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.979 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.39 -8.77 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 67.0 mt -93.61 164.0 13.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.114 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -102.02 -6.3 23.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.544 0.688 . . . . 0.0 109.54 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.244 0.814 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.698 177.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.48 145.46 9.35 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.758 2.305 . . . . 0.0 112.786 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 46.2 t60 55.33 71.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.876 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 61.5 mtp -119.36 131.87 55.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 43.5 p -88.13 176.23 7.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.3 t80 -54.72 -42.9 72.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.8 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.79 -40.44 95.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.386 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -76.07 -40.93 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.455 ' CB ' ' HG ' ' A' ' 649' ' ' CYS . 96.0 mt -65.36 -35.18 80.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.303 . . . . 0.0 110.474 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.94 -51.59 68.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.53 -28.72 67.24 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -57.74 -55.97 27.92 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.456 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -57.88 -41.25 94.07 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.976 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.855 0.36 . . . . 0.0 110.768 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.07 -42.34 97.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.907 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -64.29 -36.5 84.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.427 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 630' ' ' GLY . 82.5 t -62.77 -45.43 98.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.079 0.466 . . . . 0.0 110.709 177.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -77.87 -11.87 59.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.811 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.96 -7.5 51.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.122 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 67.46 27.26 8.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.767 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -111.8 68.97 0.68 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.439 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -71.25 -28.94 64.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.7 -169.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -61.36 -37.32 82.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 0.0 110.571 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . 0.437 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 19.6 t70 -79.15 -32.86 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.0 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.794 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.1 mt -56.44 -43.27 79.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 174.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 20.2 m -62.93 -32.66 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.151 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 32.4 mmtp -85.88 -45.92 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.223 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.76 -36.63 84.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -66.22 -30.89 71.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -74.07 -28.36 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.9 m -61.05 -48.45 81.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.057 0.456 . . . . 0.0 110.202 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.407 ' HA ' ' O ' ' A' ' 653' ' ' ASN . 90.6 mt -60.86 -32.82 72.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.308 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -62.88 -25.03 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.31 0.576 . . . . 0.0 110.441 179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.4 mt -89.35 -52.61 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.895 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 650' ' ' LEU . 41.3 t30 -135.44 119.15 17.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.615 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.07 4.13 41.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.568 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.44 14.22 30.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.429 -177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . 0.406 ' HG3' HG12 ' A' ' 659' ' ' ILE . 8.9 tp10 -105.43 102.59 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.674 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 16.9 p -63.64 -27.91 69.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.877 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.07 71.65 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 120.772 0.32 . . . . 0.0 111.374 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' A' ' 656' ' ' GLU . 49.8 mm -69.2 -44.71 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.387 . . . . 0.0 110.09 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 69.1 m-85 -63.39 -45.6 90.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.424 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 2.0 p -61.99 -34.14 75.62 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 111.099 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -75.25 -40.36 58.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -62.49 -41.85 99.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.666 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -54.99 -46.67 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.81 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.04 -40.93 91.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.5 m -65.19 -48.9 71.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.642 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.42 -36.16 68.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.666 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.9 mt -60.52 -31.07 70.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.406 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 74.9 mmtt -84.59 -23.33 29.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.136 -177.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.61 6.68 47.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 63.0 m 64.89 24.66 12.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.707 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -96.54 62.86 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.27 -36.11 83.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.109 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.36 -38.5 87.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.397 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.69 -39.43 67.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.62 96.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.512 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 28.9 ttmt -53.95 -43.56 69.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.584 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -68.04 -45.42 73.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.236 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -60.27 -42.31 95.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.186 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.8 m -60.8 -36.76 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.848 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 30.0 t70 -70.97 -41.84 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.4 mm100 -57.25 -38.17 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.328 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.52 87.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.843 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 65.7 mt -71.48 -31.66 67.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.373 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.0 mt-30 -62.47 -35.11 78.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.0 110.387 176.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.4 mt -85.51 -39.5 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -123.43 104.5 9.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 111.331 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.51 93.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.314 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 121.9 23.74 2.43 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.959 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.83 100.46 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.507 HG13 HG11 ' A' ' 717' ' ' VAL . 98.8 t -54.16 -40.04 45.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.396 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -59.37 -35.83 74.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.871 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.8 67.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.15 -47.84 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.079 0.466 . . . . 0.0 110.347 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.564 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.9 t80 -60.58 -41.62 95.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.063 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -68.74 -35.99 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -67.19 -39.58 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 110.103 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.564 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.3 mt -65.96 -36.33 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 110.247 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.05 53.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.512 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 55.7 m-70 -60.44 -37.27 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.44 -44.93 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.72 -23.51 77.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.757 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -91.95 8.17 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.674 0.273 . . . . 0.0 110.789 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 61.64 29.25 18.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.101 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -100.95 63.18 1.01 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -72.0 -28.37 63.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.852 -171.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -65.99 -33.28 75.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 0.0 109.603 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -79.6 -42.28 25.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.504 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -61.61 -40.93 96.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.178 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.81 -31.24 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.35 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.77 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 0.0 110.182 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.433 ' O ' HG21 ' A' ' 717' ' ' VAL . 35.7 m-20 -77.77 -34.67 52.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.686 -176.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.594 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.6 mt -66.03 -47.68 73.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.335 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.629 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.7 m-80 -60.83 -36.76 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.481 174.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -60.68 -44.89 95.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.507 HG11 HG13 ' A' ' 691' ' ' VAL . 70.0 t -60.45 -36.75 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.915 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.594 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.5 mm -66.27 -30.89 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.519 . . . . 0.0 110.616 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 54.8 mt -75.41 -32.31 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 0.0 110.745 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.16 -49.47 8.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.343 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . 0.424 ' OD2' HG23 ' A' ' 691' ' ' VAL . 3.4 m-20 -137.5 86.71 18.71 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.693 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.44 5.82 3.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.741 2.294 . . . . 0.0 112.43 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.8 p -96.07 5.81 50.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.159 0.504 . . . . 0.0 110.829 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 727' ' ' ALA . 20.9 mt -93.46 100.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.95 -38.25 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -52.69 -46.2 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.448 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -74.09 -27.58 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 27.2 mtpp -78.14 -21.27 50.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.279 0.561 . . . . 0.0 110.194 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 729' ' ' MET . . . . . 0.599 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.4 mmt -87.06 -35.58 18.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.362 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.401 ' O ' HG22 ' A' ' 734' ' ' VAL . 16.3 mm-40 -65.89 -51.47 58.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.898 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.906 -174.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -77.29 -28.41 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 0.0 109.994 -179.571 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.441 ' HA ' ' NH2' ' A' ' 736' ' ' ARG . 36.1 tt0 -78.15 -47.11 18.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.85 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.519 ' HA ' HD13 ' A' ' 737' ' ' LEU . 78.3 t -60.53 -32.67 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.374 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.8 m -62.59 -38.72 91.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.703 0.287 . . . . 0.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.6 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 44.4 mtm105 -75.66 -38.1 59.07 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 734' ' ' VAL . 84.0 mt -59.32 -42.49 91.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.475 174.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.15 -27.92 68.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.876 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.09 -4.18 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.672 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 57.8 mt -80.72 160.51 24.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.165 0.507 . . . . 0.0 110.95 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.86 -29.66 8.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.605 178.602 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.97 113.83 3.38 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.726 2.284 . . . . 0.0 112.141 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 621' ' ' MET . 38.0 m80 -92.34 110.02 21.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 620' ' ' HIS . 83.9 mtp 71.51 121.39 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.891 0.745 . . . . 0.0 110.985 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 48.2 p -88.81 -176.34 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.789 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 88.9 t80 -54.22 -40.46 67.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.412 . . . . 0.0 110.388 176.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 27.4 mtpp -61.38 -51.15 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.652 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.44 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.299 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.34 -39.26 93.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.05 -50.96 62.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.377 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 72.3 mt-10 -59.01 -58.38 8.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.56 -27.4 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.31 . . . . 0.0 110.752 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -61.26 -46.76 93.8 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.287 173.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -63.6 -36.55 84.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.788 0.328 . . . . 0.0 110.456 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -47.87 83.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.41 -40.15 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.0 t -58.55 -48.9 84.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.341 . . . . 0.0 110.605 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 637' ' ' LYS . 32.4 t70 -78.59 -9.03 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . 0.505 ' HZ2' ' HB2' ' A' ' 637' ' ' LYS . 8.5 mtmp? 70.9 30.81 2.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.292 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -107.96 67.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.21 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.558 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 81.4 m-85 -70.25 -27.18 64.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.72 -173.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.762 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . 0.463 ' CG ' ' HZ3' ' A' ' 645' ' ' LYS . 34.0 t70 -77.96 -32.37 51.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.182 0.515 . . . . 0.0 110.22 -178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.95 82.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.509 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.5 mt -53.25 -45.75 68.91 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.648 175.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 10.4 m -57.56 -53.88 53.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.592 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.463 ' HZ3' ' CG ' ' A' ' 641' ' ' ASP . 14.1 mptt -54.92 -48.6 72.9 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.863 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -69.05 -33.99 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.667 -176.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 45.5 m -67.01 -34.04 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 0.0 110.238 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.92 -31.46 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.483 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 71.9 m -60.42 -46.52 89.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.29 -35.58 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.069 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.41 -21.14 66.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.22 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 26.4 mt -99.6 -39.92 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 39.9 t30 -149.21 117.67 6.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -97.74 -0.41 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . 0.481 ' C ' HD12 ' A' ' 686' ' ' LEU . 20.6 tptm -88.43 -11.4 46.12 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 121.182 0.515 . . . . 0.0 111.407 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -79.95 94.6 5.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.659 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 30.6 p -60.73 -26.62 67.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.691 0.281 . . . . 0.0 111.371 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.28 65.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.739 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.4 mm -79.8 -44.48 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.03 0.443 . . . . 0.0 109.832 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.401 ' HB2' ' HB3' ' A' ' 683' ' ' ALA . 96.0 m-85 -62.83 -42.98 99.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.001 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 19.0 p -61.56 -38.54 87.85 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.282 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -76.39 -35.26 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -61.37 -45.33 94.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.52 -48.77 74.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.986 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . 0.43 HD12 ' CZ ' ' A' ' 696' ' ' ARG . 57.0 tp -56.75 -43.25 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 177.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 81.8 m -65.26 -46.18 81.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.747 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.28 -36.04 74.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.108 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.3 mt -60.16 -31.02 69.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.988 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.98 -30.03 35.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.278 -176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.67 17.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.5 m 59.49 35.32 22.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.516 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -109.06 62.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.314 0.578 . . . . 0.0 109.506 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -64.65 -36.38 84.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.719 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.17 -37.4 82.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.365 0.603 . . . . 0.0 110.097 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.0 -42.46 60.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.286 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.87 94.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.466 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.9 ttmt -50.2 -51.34 44.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.676 -175.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -39.28 94.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.24 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 60.4 m -62.21 -42.3 99.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.531 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.1 t70 -64.56 -43.57 93.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.557 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 0.0 OUTLIER -58.38 -38.48 77.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.739 176.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 660' ' ' TYR . . . -64.09 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 176.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.49 -29.23 64.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.245 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 17.9 mm-40 -64.2 -37.62 88.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.887 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.0 mt -82.71 -40.99 19.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.705 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 104.31 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.473 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.3 89.19 5.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.14 21.35 1.08 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.994 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -79.46 103.39 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.533 HG11 HG12 ' A' ' 717' ' ' VAL . 84.5 t -55.75 -41.04 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.476 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.536 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 30.9 mmtp -65.42 -34.66 78.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.98 -46.45 81.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.22 0.534 . . . . 0.0 110.058 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.574 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 40.6 t80 -62.87 -40.96 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -176.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -66.96 -40.28 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.599 0.237 . . . . 0.0 110.741 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 39.4 ttp180 -67.76 -40.51 84.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.704 0.288 . . . . 0.0 110.415 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -57.59 -44.38 85.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.037 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 89.0 mt -63.99 -39.15 93.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.32 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.789 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.466 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 68.9 m-70 -58.31 -41.56 84.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -56.06 -43.88 78.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.446 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.35 -29.71 73.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.334 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.57 6.58 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.612 0.244 . . . . 0.0 110.908 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.403 ' HZ3' ' C ' ' A' ' 742' ' ' ASP . 28.1 mtpp 66.92 20.59 10.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.006 -178.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -93.57 66.34 3.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -72.5 -31.67 65.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.997 -171.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -67.16 -35.32 79.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.191 0.519 . . . . 0.0 109.814 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -75.57 -38.65 59.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.386 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -65.08 -42.1 94.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.161 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.321 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.38 -40.54 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.865 0.364 . . . . 0.0 110.578 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -83.68 -32.94 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.372 . . . . 0.0 111.046 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.63 -48.35 67.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.634 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.0 m-80 -60.1 -29.48 68.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.546 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -68.41 -47.54 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.533 HG12 HG11 ' A' ' 691' ' ' VAL . 81.8 t -58.75 -35.87 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.673 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.5 mm -60.65 -28.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.918 178.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 56.4 mt -86.57 -36.55 18.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.977 0.418 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.9 mt -74.33 -40.92 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.97 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.77 93.98 3.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.052 0.453 . . . . 0.0 110.301 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.13 8.12 2.99 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 112.586 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 1.2 m -90.12 -6.95 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.264 0.554 . . . . 0.0 109.662 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.428 HG21 ' H ' ' A' ' 727' ' ' ALA . 14.2 mt -85.6 98.37 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.308 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.35 -33.79 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.198 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 16.7 mm-40 -55.29 -41.27 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.428 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.664 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -74.75 -28.31 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.911 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.02 -22.64 36.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.617 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.422 ' O ' HG21 ' A' ' 734' ' ' VAL . 60.0 mm-40 -79.31 -55.98 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.42 -26.01 67.78 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.163 -173.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.523 ' N ' HD13 ' A' ' 731' ' ' LEU . 7.8 pt-20 -70.26 -37.09 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.201 0.524 . . . . 0.0 109.781 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 5.3 tp10 -80.38 -44.37 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.495 ' HA ' HD13 ' A' ' 737' ' ' LEU . 93.0 t -61.23 -35.96 69.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.199 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 45.8 m -65.76 -32.37 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 43.6 mtm-85 -79.83 -33.0 40.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.331 0.586 . . . . 0.0 109.489 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 734' ' ' VAL . 87.4 mt -66.08 -41.42 90.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.234 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.53 -31.26 72.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.716 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -83.87 -3.78 58.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.126 0.489 . . . . 0.0 111.063 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.48 HD11 ' H ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -89.86 150.23 22.3 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . 0.48 ' H ' HD11 ' A' ' 740' ' ' LEU . 14.5 mmmm -75.98 -14.56 60.23 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -168.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . 0.406 ' H ' ' CD1' ' A' ' 740' ' ' LEU . 32.0 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.083 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.26 -47.98 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.624 2.216 . . . . 0.0 111.795 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -127.97 149.66 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 94.3 mmm -84.38 75.69 10.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.751 0.786 . . . . 0.0 110.599 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 72.3 p -93.89 -174.53 3.46 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.637 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 77.5 t80 -54.78 -41.22 70.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.16 0.505 . . . . 0.0 110.547 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -66.72 -38.99 87.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.9 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . 0.489 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -76.08 -40.69 52.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.25 -36.71 82.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.309 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.35 -51.76 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.724 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 625' ' ' ALA . 12.3 pt-20 -68.87 -38.5 79.76 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.263 -175.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.87 -35.48 74.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.321 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.06 -39.59 97.32 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.11 -36.28 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.9 mm-40 -63.14 -35.8 81.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.79 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 57.9 m -63.61 -48.25 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.65 -42.0 94.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 120.977 0.417 . . . . 0.0 110.603 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.69 -37.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.791 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.98 -6.13 56.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm 68.68 32.45 4.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.651 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.41 81.55 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.994 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.462 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 53.0 m-85 -80.91 -31.55 35.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.466 -168.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -64.41 -29.86 70.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.36 -38.04 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.191 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.76 -36.75 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.098 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.5 mt -52.01 -51.68 55.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.866 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 36.0 t -63.94 -40.76 97.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -65.33 -43.78 89.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -71.53 -28.4 63.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.639 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.2 t -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.525 . . . . 0.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.3 mm-40 -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.335 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.586 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.1 m -67.78 -46.13 72.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.408 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.24 -32.07 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.534 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -62.16 -24.43 67.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.842 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 25.8 mt -97.03 -47.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -142.95 123.07 13.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.538 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.78 1.63 27.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -106.21 24.36 12.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.279 0.561 . . . . 0.0 110.97 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . 0.454 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.9 tp10 -105.08 102.66 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 27.3 p -63.17 -24.79 68.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.42 -34.32 76.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.118 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.487 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -69.63 -46.89 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.216 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.645 ' CE1' ' HG2' ' A' ' 682' ' ' GLN . 86.8 m-85 -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.642 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.7 p -59.78 -43.77 94.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -74.48 -33.62 62.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.9 ttp180 -65.92 -43.7 87.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.569 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.9 -40.47 93.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.82 -39.78 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.544 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 62.7 m -68.62 -45.78 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.663 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.93 -38.05 72.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.551 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.3 mt -56.28 -40.72 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -71.61 -35.01 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.49 11.4 8.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.753 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 82.6 m 61.25 31.32 19.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.639 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -106.49 64.16 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.502 0.667 . . . . 0.0 109.384 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -66.61 -32.77 74.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.244 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.03 -40.38 89.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.77 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.94 -36.98 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.395 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.45 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -55.75 -48.97 74.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -67.5 -33.79 75.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.597 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.766 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 66.0 m -60.7 -39.49 88.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.1 t70 -63.91 -43.19 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.72 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.645 ' HG2' ' CE1' ' A' ' 660' ' ' TYR . 5.9 tp-100 -61.99 -47.82 83.09 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 123.38 0.672 . . . . 0.0 110.58 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.78 -38.91 64.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.074 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.89 -28.32 60.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.917 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -66.49 -31.47 72.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 109.93 174.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 20.9 mt -87.44 -43.69 11.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.258 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -119.43 103.85 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.241 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.88 87.33 4.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.903 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 129.69 26.17 0.88 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.27 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -83.1 105.91 14.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.515 HG13 HG12 ' A' ' 717' ' ' VAL . 88.6 t -56.56 -42.81 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.866 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.52 -35.16 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -69.09 -39.97 78.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.844 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.213 0.53 . . . . 0.0 110.177 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -59.21 -43.86 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.434 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.77 -25.71 44.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.263 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -68.07 -39.84 82.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.757 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.36 -38.89 92.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.161 0.505 . . . . 0.0 110.255 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.77 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -61.45 -39.25 90.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -56.07 -45.66 79.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.127 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.27 -21.39 75.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.79 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.94 9.61 41.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.418 ' HA ' ' CZ ' ' A' ' 707' ' ' TYR . 29.6 mtpp 62.9 24.0 14.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.684 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.95 69.29 3.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . 0.418 ' CZ ' ' HA ' ' A' ' 705' ' ' LYS . 37.2 m-85 -76.1 -31.8 58.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.635 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -64.33 -31.28 72.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.177 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -83.37 -42.97 16.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.734 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -60.43 -41.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.345 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.17 -31.6 70.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -44.07 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.899 0.38 . . . . 0.0 110.226 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -74.31 -35.97 63.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.708 -178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.7 mt -65.7 -46.84 77.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.534 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.55 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 21.2 m-80 -61.21 -35.93 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.515 HG12 HG13 ' A' ' 691' ' ' VAL . 84.3 t -60.33 -36.4 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.643 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.6 mm -64.24 -29.15 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.521 . . . . 0.0 110.574 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.6 mt -79.77 -38.41 33.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.73 -45.96 27.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.137 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.83 89.93 7.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.77 8.43 3.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.91 2.407 . . . . 0.0 113.155 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -100.07 0.23 40.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.21 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.453 HG21 ' H ' ' A' ' 727' ' ' ALA . 18.6 mt -83.88 103.01 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.179 0.514 . . . . 0.0 110.446 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.1 -33.8 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.352 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 31.9 mt-10 -55.08 -49.38 71.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.754 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.453 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -66.91 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -69.09 -31.75 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.548 . . . . 0.0 110.281 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.2 mmt -85.83 -27.86 24.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.81 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -75.43 -48.36 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.631 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.06 -30.0 70.44 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.007 -174.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.1 pt-20 -68.91 -39.35 79.73 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 7.8 tp10 -69.94 -46.19 65.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.47 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.481 ' HA ' HD11 ' A' ' 737' ' ' LEU . 80.5 t -62.61 -24.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.746 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.3 m -65.61 -36.02 82.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.601 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -40.2 63.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 734' ' ' VAL . 82.6 mt -59.35 -42.59 91.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.772 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.3 tp -66.21 -40.7 90.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.963 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -69.29 -29.29 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.53 169.76 16.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.257 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -131.79 -7.81 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.671 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.572 178.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -82.97 109.7 1.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.644 2.229 . . . . 0.0 112.942 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -85.66 125.36 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 83.1 mtp -106.9 129.83 54.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.653 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 42.7 p -82.06 175.39 10.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.152 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 83.4 t80 -56.17 -44.13 79.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.06 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.03 -37.69 88.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -69.65 -53.13 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.796 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.26 -38.63 84.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -64.56 -50.43 67.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.035 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.34 -34.08 74.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.78 -39.66 87.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.811 0.338 . . . . 0.0 110.273 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -60.79 -42.26 99.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.815 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.12 -43.77 87.4 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.02 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.67 -36.31 83.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.311 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 62.7 m -62.79 -44.77 95.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 0.0 109.972 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 88.4 t -60.43 -46.81 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.435 0.636 . . . . 0.0 110.205 175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.68 -22.56 66.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.541 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -92.51 2.39 56.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.172 0.51 . . . . 0.0 110.326 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . 0.434 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 35.7 mtmm 65.85 25.77 11.21 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.955 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -109.5 69.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 83.4 m-85 -73.69 -31.91 63.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.083 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.78 -30.61 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.05 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -86.59 -35.12 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.431 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.689 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.8 mt -54.73 -44.05 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.828 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 35.5 t -69.44 -42.45 74.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -61.62 -47.0 87.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.43 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.73 -29.69 67.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 44.3 t -61.26 -39.82 91.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.31 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.9 -31.7 70.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.548 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.0 m -63.52 -45.39 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.251 175.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.81 -37.46 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -62.94 -28.28 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 110.506 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 33.7 mt -86.99 -44.48 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.391 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -147.48 122.3 9.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.885 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -104.72 11.54 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.707 0.289 . . . . 0.0 110.556 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -104.96 13.01 31.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.467 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.24 105.48 15.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.998 0.427 . . . . 0.0 110.39 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.4 p -66.85 -22.98 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.91 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.04 70.44 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.996 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.25 -52.76 24.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.947 0.403 . . . . 0.0 110.023 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 80.6 m-85 -57.99 -47.56 82.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.38 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 15.5 p -59.9 -38.69 83.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.427 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.24 -32.89 56.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -62.93 -42.59 99.85 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.52 -43.48 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.824 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.47 -38.94 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.237 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.93 -47.15 69.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . 0.445 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 16.2 m-85 -56.96 -38.68 73.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.6 mt -57.5 -33.39 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.37 -34.71 54.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.24 12.73 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.852 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 20.5 t 64.63 32.18 11.59 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.355 0.598 . . . . 0.0 111.123 176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . 0.445 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 79.9 mt-30 -107.7 67.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.47 0.653 . . . . 0.0 109.416 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -70.56 -37.31 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.031 -173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.24 -41.22 98.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 109.944 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.36 -47.24 74.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.195 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -56.33 -42.56 77.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.711 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.537 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -56.36 -46.02 80.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.753 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.67 -37.64 82.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.165 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -64.94 -43.57 92.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.563 177.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.39 -40.45 94.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.661 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.0 t70 -62.45 -49.73 74.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 178.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.538 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.5 mm100 -58.24 -34.06 70.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.44 91.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 69.3 mt -72.63 -30.58 64.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.72 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.661 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 11.9 mm-40 -63.75 -31.03 72.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.856 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.6 mt -84.57 -49.95 8.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.995 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -124.24 103.35 8.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.231 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.03 87.56 6.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.921 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.0 14.63 0.48 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.042 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -79.81 108.91 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.504 HG13 HG11 ' A' ' 717' ' ' VAL . 98.5 t -57.27 -41.98 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.731 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.51 -33.52 73.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.666 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.69 70.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.44 -51.44 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 71.5 t80 -58.91 -45.62 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.515 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -77.43 -24.12 50.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.301 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -72.27 -38.49 68.83 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.4 93.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.472 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -64.46 -35.64 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -66.53 -51.78 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.537 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.1 m-70 -57.99 -41.64 83.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.706 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.63 -40.25 78.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.888 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.45 -27.11 73.12 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.233 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.81 4.1 50.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.416 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.545 ' HB2' ' HZ1' ' A' ' 705' ' ' LYS . 10.4 mtmp? 66.62 28.47 9.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.023 -177.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.86 73.49 1.99 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -78.78 -33.94 45.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.329 -169.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.5 -35.37 80.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -73.07 -45.83 55.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.929 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 26.5 t -60.73 -40.92 94.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.422 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.15 -30.68 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.689 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.2 -43.25 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.403 ' O ' HG21 ' A' ' 717' ' ' VAL . 70.0 m-20 -75.06 -36.42 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.7 mt -64.63 -47.95 76.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.382 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.609 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 22.1 m-80 -61.32 -32.25 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.099 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.33 -44.23 83.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.504 HG11 HG13 ' A' ' 691' ' ' VAL . 79.0 t -57.45 -39.65 69.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.439 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.8 mm -62.31 -27.71 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.985 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 60.2 mt -81.07 -43.11 19.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.69 -42.93 39.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.32 89.18 5.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.418 . . . . 0.0 110.038 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.34 3.35 6.36 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.528 2.152 . . . . 0.0 112.596 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 15.2 t -89.12 -9.96 49.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.249 0.547 . . . . 0.0 109.694 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.413 HG21 ' H ' ' A' ' 727' ' ' ALA . 14.0 mt -76.44 103.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.121 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.5 mm -65.14 -32.06 56.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 14.1 mm-40 -56.77 -44.75 82.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.205 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.413 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -73.36 -27.8 61.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.926 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -69.85 -26.34 64.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.455 0.645 . . . . 0.0 109.997 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 729' ' ' MET . . . . . 0.407 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.3 mmt -87.09 -33.63 19.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.11 176.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 23.6 mm-40 -69.41 -49.5 54.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.03 -30.1 71.2 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.877 -175.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 0.0 OUTLIER -74.79 -36.97 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.557 ' HG3' ' NH2' ' A' ' 736' ' ' ARG . 38.7 tt0 -71.98 -46.36 57.6 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 737' ' ' LEU . 91.8 t -63.57 -31.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.847 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.3 m -65.87 -30.05 70.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.63 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 14.1 mtm180 -74.84 -46.02 39.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 734' ' ' VAL . 72.7 mt -54.98 -47.57 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.592 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.64 -39.84 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.227 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -73.61 -23.89 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.534 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 85.7 mt -75.67 -179.56 4.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.596 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 -48.38 4.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 109.79 178.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.501 177.601 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.65 90.37 0.93 Allowed 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.92 2.414 . . . . 0.0 112.871 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 57.0 45.95 20.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.621 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 88.1 mtp -78.56 128.05 32.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.7 p -76.57 166.42 23.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.465 ' CE1' ' HB3' ' A' ' 653' ' ' ASN . 72.8 t80 -52.42 -44.37 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.094 0.473 . . . . 0.0 110.127 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . 0.602 ' O ' ' HG2' ' A' ' 628' ' ' GLU . 98.7 mttt -63.35 -53.05 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.171 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.98 76.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 111.259 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.18 -45.19 85.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.27 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -66.97 -41.46 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.022 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 624' ' ' LYS . 10.0 mm-40 -62.38 -50.03 73.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.333 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.99 -27.17 66.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.933 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.458 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -59.19 -47.64 89.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.557 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -62.14 -33.64 74.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.33 -45.03 95.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.634 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.7 m -60.76 -40.58 93.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.253 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 630' ' ' GLY . 90.2 t -63.19 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.94 -33.23 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.959 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.94 -6.36 50.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 0.0 110.302 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 65.47 29.9 11.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.692 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -101.59 64.15 0.98 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.483 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 61.7 m-85 -68.32 -32.92 73.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.105 -170.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -61.37 -28.73 69.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.14 -37.83 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.35 -33.96 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.427 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.6 mt -52.29 -51.31 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.913 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' SER . . . . . 0.529 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 93.8 p -65.18 -39.11 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.678 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -61.86 -44.65 96.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 662' ' ' ASN . 33.3 m-85 -74.7 -28.08 60.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.426 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 43.5 m -67.44 -31.63 71.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.146 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 644' ' ' SER . 32.4 mm-40 -66.34 -32.96 74.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.009 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 81.6 m -67.35 -39.58 85.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.557 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -25.53 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.47 -23.56 63.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.9 mt -97.23 -45.34 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.81 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.465 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 33.4 t30 -149.23 128.33 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -175.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -113.29 10.84 18.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . 0.463 ' C ' HD11 ' A' ' 686' ' ' LEU . 34.9 mmtp -101.38 9.84 41.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.195 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -105.06 107.38 18.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.38 -23.71 65.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.791 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.48 77.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.022 0.439 . . . . 0.0 110.945 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.7 -47.09 90.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.456 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -65.81 -42.26 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.963 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.7 p -61.59 -40.86 96.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.317 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . 0.56 ' HB3' ' CE2' ' A' ' 646' ' ' TYR . 12.0 m-80 -65.12 -43.84 90.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.001 177.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.43 -50.34 71.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.91 -43.6 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.461 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . 0.47 ' HB2' ' NH1' ' A' ' 696' ' ' ARG . 3.3 tm? -57.99 -43.87 86.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.939 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.0 m -65.74 -43.81 87.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.79 -37.36 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.602 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -59.77 -32.0 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 111.051 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -76.69 -29.66 56.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.52 16.33 13.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.621 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 44.4 t 63.81 21.68 12.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.364 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.63 68.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 109.952 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -67.39 -37.12 82.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.07 -35.83 78.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.246 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.411 ' HA ' ' NE2' ' A' ' 678' ' ' GLN . 12.4 mm-40 -75.71 -41.98 52.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.256 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.337 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.405 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.0 ttmt -53.99 -44.02 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.891 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 675' ' ' GLU . 44.5 mt-30 -64.18 -50.83 66.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.414 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -33.52 76.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.467 -177.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.689 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 20.3 t70 -66.56 -41.15 89.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.7 mm100 -60.11 -36.57 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.634 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.9 90.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.59 -31.93 70.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.209 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.0 mt-30 -61.29 -28.17 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 18.2 mt -92.37 -42.78 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.162 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.64 103.31 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.535 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.78 90.91 5.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.589 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.15 19.14 0.55 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.062 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.49 106.17 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.534 HG11 HG13 ' A' ' 717' ' ' VAL . 92.3 t -56.36 -40.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.692 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -65.51 -31.62 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.55 59.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.52 -50.43 63.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.11 0.481 . . . . 0.0 110.683 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.606 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 75.7 t80 -58.59 -43.27 89.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.384 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.47 ' NH1' ' HB2' ' A' ' 665' ' ' LEU . 97.6 mtt180 -78.26 -26.45 47.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.273 -176.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.46 -39.55 77.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.5 mt -61.05 -42.11 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.084 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.53 64.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.812 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 58.8 m-70 -57.48 -44.93 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.89 -45.79 78.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -65.92 -24.02 71.34 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.663 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.8 7.67 44.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.29 26.45 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.748 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . 0.414 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 88.1 m-20 -99.58 76.47 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -80.52 -36.05 33.71 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.205 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.1 OUTLIER -65.39 -35.93 82.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -70.48 -44.84 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.86 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.28 -40.31 93.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.082 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.86 -33.71 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.43 -37.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.548 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 717' ' ' VAL . 65.4 m-20 -83.45 -33.99 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.552 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.2 -47.69 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.548 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.551 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 37.8 m-80 -61.51 -32.68 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . 0.568 ' O ' HD22 ' A' ' 720' ' ' LEU . 0.1 OUTLIER -65.02 -46.9 79.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.741 176.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.534 HG13 HG11 ' A' ' 691' ' ' VAL . 70.0 t -54.96 -39.72 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.959 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.552 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.9 mm -63.59 -23.77 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.479 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.3 mt -76.2 -53.97 7.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -60.25 -58.22 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.455 0.645 . . . . 0.0 111.126 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -127.57 90.87 47.2 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.409 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.41 2.93 5.74 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.018 2.478 . . . . 0.0 113.288 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 21.0 m -103.45 2.08 33.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.765 0.317 . . . . 0.0 111.231 -174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.456 HG21 ' H ' ' A' ' 727' ' ' ALA . 22.9 mt -81.62 106.5 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.155 0.502 . . . . 0.0 110.665 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.48 -34.78 71.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 20.4 mm-40 -55.08 -48.67 73.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.521 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.456 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -68.73 -29.86 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.983 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -71.92 -28.22 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 0.0 110.107 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.7 mmt -85.03 -21.15 29.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.537 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 57.7 mm-40 -80.53 -50.16 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.442 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.43 -27.08 68.27 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.819 -175.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -73.24 -39.22 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.477 ' CD ' HH21 ' A' ' 736' ' ' ARG . 7.4 tp10 -69.7 -48.48 59.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.394 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.485 ' HA ' HD13 ' A' ' 737' ' ' LEU . 95.2 t -61.47 -32.22 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.167 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.5 m -64.02 -35.85 82.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.581 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 32.8 mtm180 -79.96 -36.42 36.19 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.485 HD13 ' HA ' ' A' ' 734' ' ' VAL . 89.4 mt -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.213 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.81 -29.99 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.524 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -83.24 -10.27 58.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.716 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 79.9 mt -82.63 169.38 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -97.0 -33.31 11.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.533 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.315 -179.216 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.25 131.94 36.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.068 2.512 . . . . 0.0 112.165 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -97.05 82.75 3.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.737 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 78.4 mtp 70.34 136.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.726 0.641 . . . . 0.0 111.57 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.2 p -75.02 166.83 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 88.7 t80 -52.86 -40.87 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.35 -50.86 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.766 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -64.12 -42.31 96.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.012 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.432 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 86.2 mt -64.33 -40.31 95.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.109 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.75 -45.41 94.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 48.0 mt-10 -58.6 -47.22 85.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.516 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 62.6 mm-40 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 634' ' ' VAL . . . -56.28 -48.74 72.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -61.76 -41.96 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.583 0.23 . . . . 0.0 111.233 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.2 mm-40 -62.7 -30.84 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.556 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 69.3 m -75.66 -48.33 22.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.114 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 630' ' ' GLY . 87.4 t -54.82 -44.74 73.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -74.56 -12.44 60.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.671 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -105.67 10.21 32.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.228 0.537 . . . . 0.0 110.034 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . 0.606 ' HA ' ' CE1' ' A' ' 639' ' ' TYR . 51.0 mtpt 63.24 23.95 14.09 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.03 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -100.53 56.84 0.91 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.929 0.871 . . . . 0.0 108.917 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.606 ' CE1' ' HA ' ' A' ' 637' ' ' LYS . 83.8 m-85 -67.63 -30.52 70.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.861 -174.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -60.95 -39.49 89.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.81 -31.64 28.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.034 0.445 . . . . 0.0 110.308 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.77 68.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.742 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.7 mt -54.3 -46.3 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.853 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 27.4 m -69.67 -36.45 76.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.977 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.08 -44.01 77.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . 0.454 ' O ' ' HG ' ' A' ' 650' ' ' LEU . 29.6 m-85 -71.6 -25.06 62.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 23.1 t -65.35 -33.66 76.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.53 -32.56 66.22 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 646' ' ' TYR . 67.1 m -59.77 -40.58 88.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.006 174.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 646' ' ' TYR . 85.5 mt -72.53 -10.42 59.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.673 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 52.0 mt -99.63 -51.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.819 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.501 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 46.2 t30 -135.59 126.58 27.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 111.047 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -118.82 12.5 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . 0.436 ' C ' HD13 ' A' ' 686' ' ' LEU . 26.9 tptp -94.29 -9.67 35.28 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 121.085 0.469 . . . . 0.0 110.809 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -92.39 106.45 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.101 0.476 . . . . 0.0 111.087 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.77 -20.94 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.655 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.3 -30.29 71.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.721 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.07 -50.46 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 65.0 m-85 -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.944 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 7.0 p -65.56 -40.7 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.304 . . . . 0.0 111.005 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . 0.427 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 8.5 m-80 -64.98 -39.85 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.446 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -57.78 -51.3 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.03 -43.6 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.132 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . 0.412 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 54.6 tp -55.92 -45.57 78.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.543 176.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.25 -47.18 83.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.798 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.86 -32.87 68.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.925 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -63.93 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.132 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.446 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.5 mptp? -76.24 -28.7 57.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.18 3.81 52.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.503 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.0 m 62.05 24.94 14.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.469 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -94.4 68.16 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -64.11 -35.6 81.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.205 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.71 -38.6 88.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.26 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -72.35 -46.45 55.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.033 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -57.56 -40.75 79.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.528 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.473 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -53.21 -44.73 68.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.038 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.1 -44.46 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.216 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 2.1 m-20 -61.42 -34.52 75.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.57 -41.54 96.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.94 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.89 -40.02 96.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.265 0.555 . . . . 0.0 110.041 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.584 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.8 mm100 -64.05 -33.42 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.72 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.67 70.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.417 . . . . 0.0 110.779 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.5 mt -78.07 -29.65 49.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.898 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' ' 682' ' ' GLN . 11.0 pt20 -66.53 -36.88 83.79 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.21 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.8 mt -76.15 -42.03 48.03 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.948 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.73 104.08 7.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -78.49 80.31 4.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.407 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 145.18 26.37 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.214 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.31 104.79 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.562 HG13 HG11 ' A' ' 717' ' ' VAL . 78.2 t -54.72 -42.9 63.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.665 -176.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.631 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 98.9 mttt -64.91 -35.51 81.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.42 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -64.67 -47.03 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 109.921 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.559 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 59.4 t80 -60.03 -43.41 95.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.631 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 29.2 mmt180 -64.27 -42.66 96.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 0.0 110.586 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 701' ' ' HIS . 43.8 ttp180 -69.33 -37.15 77.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.956 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.32 92.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 82.9 mt -67.48 -40.28 85.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.291 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.38 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.814 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.473 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 54.2 m-70 -61.06 -40.17 92.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.8 -42.09 78.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.89 -20.73 78.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.649 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 67.6 mt -96.42 5.83 50.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 62.36 30.87 17.47 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.088 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.0 m-20 -101.8 66.8 1.07 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 174.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -74.44 -30.95 62.11 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.113 -167.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 712' ' ' ILE . 8.2 tp-100 -63.18 -42.74 99.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.38 -43.71 93.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.668 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.8 t -61.31 -43.78 98.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.14 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 55.5 mt -58.56 -34.8 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.3 mt -63.34 -36.92 78.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.442 . . . . 0.0 110.476 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.418 ' O ' HG22 ' A' ' 717' ' ' VAL . 60.9 m-20 -80.46 -36.39 33.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.3 mt -66.61 -47.84 71.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.598 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.598 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.0 m-80 -61.8 -32.21 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.025 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -66.81 -41.71 87.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.585 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.562 HG11 HG13 ' A' ' 691' ' ' VAL . 72.3 t -60.03 -37.48 72.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.9 mm -66.11 -27.67 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.872 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.0 mt -73.63 -40.05 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.223 0.535 . . . . 0.0 110.321 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.5 mt -79.62 -47.49 15.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.655 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -143.24 93.44 6.48 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 0.0 110.473 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.55 9.97 2.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.066 2.51 . . . . 0.0 112.592 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.0 m -93.49 -15.24 25.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.424 HG23 ' H ' ' A' ' 727' ' ' ALA . 15.8 mt -73.9 104.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.76 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.55 -34.02 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.423 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 37.0 mt-10 -54.87 -46.16 74.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.424 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -72.01 -29.42 64.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.005 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.395 0.617 . . . . 0.0 109.927 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -84.29 -22.63 30.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.802 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -82.38 -48.72 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -24.73 66.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.776 -175.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.0 pt-20 -74.43 -39.2 62.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.058 0.456 . . . . 0.0 109.825 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 6.4 tp10 -75.91 -44.47 40.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.0 t -61.57 -32.51 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.241 -178.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.9 m -65.1 -35.06 79.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.438 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 50.4 mtm-85 -77.98 -38.82 44.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.369 0.604 . . . . 0.0 109.517 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 734' ' ' VAL . 70.5 mt -61.5 -39.58 91.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.784 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.91 -35.39 80.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.706 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -75.95 -17.96 59.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 59.4 mt -69.68 160.63 31.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.129 0.49 . . . . 0.0 110.971 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -99.87 -6.88 26.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.124 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.696 -0.668 . . . . 0.0 110.246 175.413 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.78 149.36 66.67 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.6 2.2 . . . . 0.0 112.378 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -77.16 92.66 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.786 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 80.7 mtp -116.2 123.97 49.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.947 0.403 . . . . 0.0 110.843 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.6 p -89.02 179.29 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.4 t80 -55.18 -42.88 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -62.6 -49.89 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.732 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.1 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.026 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.468 ' CB ' ' HG ' ' A' ' 649' ' ' CYS . 51.4 mt -60.67 -37.83 82.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -64.07 -51.44 64.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.0 110.36 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.14 -52.09 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.182 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.35 -34.91 79.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.08 96.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.89 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -63.67 -34.06 77.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.81 -38.48 89.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.318 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.12 -39.58 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.43 -49.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.83 -33.68 76.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -77.33 0.02 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.709 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 65.81 20.78 11.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.849 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.56 61.5 0.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 78.9 m-85 -64.55 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.066 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -62.91 -28.42 70.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.3 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -85.87 -36.67 19.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 109.896 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.07 75.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.685 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.3 mt -54.42 -47.96 72.19 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.63 176.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.6 m -66.45 -40.06 89.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.057 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.16 -45.5 80.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -69.46 -26.73 64.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 t -64.48 -37.76 88.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.986 0.422 . . . . 0.0 109.919 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 651' ' ' LYS . 34.5 mm-40 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.037 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.468 ' HG ' ' CB ' ' A' ' 626' ' ' LEU . 65.4 m -57.7 -47.06 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.575 177.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -57.69 -40.6 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.426 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.465 ' HE2' ' HA ' ' A' ' 648' ' ' GLU . 52.4 mtmt -64.22 -22.44 66.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.272 0.558 . . . . 0.0 110.73 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.9 mt -90.28 -42.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.208 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -155.54 119.74 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.892 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -101.45 8.66 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.828 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -98.61 10.51 40.88 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.712 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.23 108.17 19.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.5 p -64.51 -23.42 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.705 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.02 71.89 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.042 0.448 . . . . 0.0 111.181 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.565 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 46.7 mm -72.2 -47.22 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -64.31 -46.63 82.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.701 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.2 p -61.1 -43.11 99.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.67 0.271 . . . . 0.0 111.543 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -77.79 -30.07 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.846 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.565 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.7 ttp180 -69.45 -40.97 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.511 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.23 -39.6 90.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.538 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.64 -36.66 76.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.214 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 74.5 m -71.37 -43.65 66.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.521 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -57.12 -35.52 69.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.606 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.7 mt -58.08 -31.61 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.177 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -80.83 -35.21 33.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.16 8.51 15.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 67.15 19.96 10.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.861 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -93.22 65.32 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.274 0.559 . . . . 0.0 109.505 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.412 ' O ' ' HB1' ' A' ' 700' ' ' ALA . 44.5 m-85 -66.68 -36.42 82.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.635 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.25 -39.92 88.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.57 -44.04 68.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.31 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.095 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.453 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.8 ttmt -56.1 -48.07 76.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.64 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.259 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.74 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.5 m -63.42 -37.01 85.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 32.7 t70 -64.88 -41.6 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.51 -43.29 97.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.87 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 53.7 mt -72.63 -27.19 61.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 25.6 mt-30 -70.05 -34.53 73.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.457 . . . . 0.0 109.955 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.58 -40.73 25.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 103.88 8.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.395 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.97 88.75 5.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.341 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.17 21.86 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.155 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -80.17 105.71 11.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.53 HG12 HG11 ' A' ' 717' ' ' VAL . 96.4 t -57.34 -42.46 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.414 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.9 -33.66 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.81 -40.47 72.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -66.82 -49.07 66.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.069 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.631 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.1 t80 -58.94 -47.65 84.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.381 -176.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.57 -25.09 59.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.318 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.48 -40.21 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . 0.427 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -58.37 -41.37 84.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.647 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 64.1 mt -61.86 -39.46 91.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.018 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 673' ' ' PHE . . . -64.14 -52.01 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.941 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.453 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 74.3 m-70 -57.17 -39.22 74.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.12 -38.61 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.668 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -79.23 -14.45 81.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.46 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 673' ' ' PHE . 53.2 mt -100.69 10.03 41.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.744 0.307 . . . . 0.0 110.569 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 63.07 26.14 15.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.218 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.77 71.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.998 -170.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.576 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -67.83 -38.2 82.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.067 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.11 -44.81 91.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.73 176.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.7 t -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.243 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 37.6 mt -58.85 -34.68 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.458 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 708' ' ' GLN . 69.6 mt -61.74 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.408 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.0 m-20 -77.31 -34.49 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.123 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.587 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.7 mt -66.8 -47.85 70.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.542 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.687 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 29.3 m-80 -62.15 -34.25 76.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -60.19 -44.47 95.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.096 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.53 HG11 HG12 ' A' ' 691' ' ' VAL . 70.4 t -61.82 -39.74 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.726 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -65.47 -28.27 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.1 0.476 . . . . 0.0 110.518 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 69.2 mt -74.19 -43.17 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.095 0.474 . . . . 0.0 110.499 176.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.29 -43.76 55.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.896 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.35 93.74 4.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.534 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.64 9.02 3.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.893 2.395 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 19.2 t -97.7 -3.38 39.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 109.804 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.487 HG23 ' H ' ' A' ' 727' ' ' ALA . 26.7 mt -82.56 106.16 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.33 -31.02 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.338 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.49 -46.36 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.419 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.487 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -68.51 -27.37 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -71.63 -28.73 63.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.1 mmt -86.19 -24.39 26.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.703 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.403 ' O ' HG21 ' A' ' 734' ' ' VAL . 66.7 mm-40 -76.46 -50.97 12.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.507 179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -27.35 66.2 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.207 -173.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 8.5 pt-20 -70.21 -36.77 74.8 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 44.0 tt0 -71.42 -47.35 56.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.31 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.468 ' HA ' HD13 ' A' ' 737' ' ' LEU . 90.5 t -61.01 -33.98 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.779 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 95.8 m -65.31 -32.8 74.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 30.2 mtm180 -75.05 -34.88 61.89 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 734' ' ' VAL . 54.1 mt -69.42 -42.57 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.474 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.4 tp -63.77 -30.87 71.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.904 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.59 -3.43 50.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.242 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.27 171.94 8.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -75.05 -64.61 1.01 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.953 0.406 . . . . 0.0 110.776 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.083 -175.64 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.76 81.45 1.07 Allowed 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.065 2.51 . . . . 0.0 112.063 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.15 -27.19 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.297 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.36 96.86 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.991 178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 59.9 p -125.15 -173.72 2.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.051 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.531 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 88.2 t80 -55.25 -42.31 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.29 0.567 . . . . 0.0 110.083 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -66.89 -40.03 87.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.906 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . 0.421 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.38 -32.99 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.48 -40.76 70.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -64.39 -46.18 84.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.702 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.461 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.7 pt-20 -62.96 -43.73 97.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.032 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -69.92 -30.55 67.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.855 0.359 . . . . 0.0 110.352 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.65 99.71 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.63 -42.28 96.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.025 0.441 . . . . 0.0 109.986 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.631 ' HA ' HE21 ' A' ' 632' ' ' GLN . 0.0 OUTLIER -63.55 -40.01 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.565 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 76.0 m -63.49 -45.06 92.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.104 0.253 . . . . 0.0 110.654 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.08 -41.17 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.95 0.405 . . . . 0.0 110.427 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.34 -39.82 94.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.93 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.86 -8.78 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 0.0 110.565 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . 0.486 ' HZ2' ' HB2' ' A' ' 637' ' ' LYS . 8.7 mtmp? 70.26 20.31 6.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.846 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.58 77.12 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.55 0.691 . . . . 0.0 109.203 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.539 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 62.0 m-85 -70.66 -25.12 62.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.913 -173.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -56.65 -53.04 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.931 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -82.65 -19.64 37.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.04 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.5 81.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 86.9 mt -57.62 -41.96 82.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.592 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 7.0 m -64.67 -49.41 71.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.26 -47.71 80.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . 0.445 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.2 m-85 -72.89 -24.95 60.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.164 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 47.4 t -68.34 -44.14 75.97 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.13 -25.18 66.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.531 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 83.1 m -63.83 -43.54 95.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.246 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.52 -28.99 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.087 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -61.98 -27.24 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.6 mt -98.33 -51.55 10.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.763 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -138.72 115.28 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.264 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.01 12.66 35.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.057 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -103.17 11.52 36.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 -178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.26 95.96 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.635 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.21 -26.7 68.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.343 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.49 75.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.001 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 48.5 mm -61.96 -46.81 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.162 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -63.51 -43.34 97.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.273 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.4 p -65.94 -28.25 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.07 -39.9 32.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.545 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -63.26 -44.31 95.51 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.23 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.651 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.33 -42.5 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.3 -45.88 92.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.987 0.422 . . . . 0.0 109.88 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.61 -38.03 89.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.768 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 19.1 m-85 -64.95 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 177.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 92.2 mt -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.573 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -73.24 -33.18 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.851 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 81.8 mt -100.1 28.14 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 28.3 p 47.37 34.85 3.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.082 0.953 . . . . 0.0 112.976 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 49.2 mt-30 -107.53 65.42 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.311 0.577 . . . . 0.0 109.729 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.48 -37.2 79.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.607 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.33 -37.63 83.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.968 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.23 -42.25 72.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.971 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.995 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -54.34 -44.25 71.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.09 -44.99 96.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.35 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -38.85 82.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.28 -40.42 94.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.373 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.8 t70 -66.38 -40.93 90.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.301 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 17.1 mm100 -62.14 -37.62 85.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.76 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.702 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.86 -31.05 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.437 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.8 mt-30 -63.76 -29.81 70.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.41 . . . . 0.0 110.296 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 21.7 mt -88.88 -47.07 8.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -117.86 103.8 10.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.59 92.73 5.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.011 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 123.57 19.37 2.82 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.175 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -76.93 106.35 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.524 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -56.49 -37.63 52.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.297 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 62.8 mttm -65.67 -37.21 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.596 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.72 84.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -65.89 -47.55 74.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.233 0.539 . . . . 0.0 110.026 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.573 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.2 t80 -59.07 -42.54 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.981 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.2 mmt180 -64.98 -44.34 89.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.02 -36.95 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.929 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.28 95.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.658 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.1 mt -66.04 -37.49 85.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.103 0.478 . . . . 0.0 110.256 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.01 -52.28 63.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.677 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.21 -35.71 77.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.813 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.89 -43.32 86.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.344 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -74.94 -21.6 78.19 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.246 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.68 8.42 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.725 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 62.68 22.27 13.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.941 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.22 67.28 1.57 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -74.25 -29.27 61.6 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.154 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.91 -32.45 73.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 109.511 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -78.26 -40.25 37.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -64.05 -41.34 97.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.219 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.13 -32.94 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.73 -40.03 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.918 0.39 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 717' ' ' VAL . 73.5 m-20 -83.4 -34.7 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.9 mt -65.69 -48.07 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.369 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.652 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.3 m-80 -59.73 -39.1 83.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.395 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.524 HG13 HG13 ' A' ' 691' ' ' VAL . 70.7 t -61.46 -39.89 84.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 175.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.3 mm -64.35 -36.34 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.34 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 68.9 mt -69.31 -38.61 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 110.693 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 83.6 mt -78.91 -44.29 22.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.067 -178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -144.41 89.29 6.95 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 109.982 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.74 7.14 4.04 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.905 2.403 . . . . 0.0 113.044 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 25.6 m -97.56 -3.86 38.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.4 mt -80.26 95.73 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.816 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.06 -34.61 67.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.348 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 62.8 mm-40 -54.09 -44.0 70.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.627 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.429 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -76.05 -28.38 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 30.3 mtpp -74.9 -24.22 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.219 0.533 . . . . 0.0 110.168 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.0 mmt -86.33 -19.78 29.3 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.576 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 20.0 mm-40 -80.49 -51.69 8.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.783 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.513 HD11 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -63.74 -26.85 68.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.059 -174.831 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.513 ' N ' HD11 ' A' ' 731' ' ' LEU . 6.9 pt-20 -73.46 -34.76 65.53 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.437 ' CD ' HH21 ' A' ' 736' ' ' ARG . 9.2 tp10 -77.75 -44.28 28.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.95 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.485 ' HA ' HD11 ' A' ' 737' ' ' LEU . 79.1 t -60.71 -30.94 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.9 m -65.0 -36.81 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.473 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.437 HH21 ' CD ' ' A' ' 733' ' ' GLU . 60.8 mtm-85 -77.37 -38.47 50.03 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.342 0.591 . . . . 0.0 109.533 -177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 734' ' ' VAL . 75.7 mt -61.2 -39.48 90.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.422 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.3 tp -71.39 -29.92 65.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.895 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -78.29 -21.02 50.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 44.0 mt -66.63 155.29 38.29 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.949 173.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.78 -25.61 18.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.928 -173.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.211 177.452 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.24 94.82 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.592 2.195 . . . . 0.0 112.661 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -69.42 -52.6 25.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' MET . . . . . 0.411 ' HE2' ' HB3' ' A' ' 621' ' ' MET . 71.0 mtp 62.64 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.139 0.899 . . . . 0.0 112.697 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 42.4 p -90.28 179.92 5.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 86.5 t80 -55.62 -41.42 73.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.086 0.469 . . . . 0.0 110.389 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.77 -42.36 97.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.579 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.71 -38.01 76.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.453 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 78.2 mt -64.5 -38.69 91.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.7 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.14 -48.2 79.49 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.0 pt-20 -65.46 -39.56 92.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.54 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -60.9 -43.7 98.14 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.273 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.434 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -59.45 -44.53 96.6 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.715 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.88 -41.94 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.842 0.353 . . . . 0.0 110.667 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.0 mm-40 -59.72 -40.57 88.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 56.5 m -69.62 -37.49 76.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 630' ' ' GLY . 98.3 t -63.92 -44.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 121.043 0.449 . . . . 0.0 110.237 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.62 -34.08 77.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.53 -5.91 57.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.797 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 56.0 mttp 66.81 22.9 10.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.921 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -101.63 67.45 1.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -66.45 -32.17 73.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.666 -171.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.16 -29.34 70.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.354 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.26 -35.02 21.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 0.0 109.866 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.07 -39.86 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.853 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 93.2 mt -54.75 -45.5 74.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.739 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 21.7 t -65.63 -39.74 91.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.29 -44.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -70.13 -27.11 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.894 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 14.2 t -62.39 -37.78 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.02 0.438 . . . . 0.0 109.893 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.94 -25.71 63.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.498 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 63.7 m -66.27 -42.26 88.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.194 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.52 -10.32 58.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.537 ' HZ3' ' HB3' ' A' ' 651' ' ' LYS . 9.2 mtpm? -77.01 -30.32 55.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.101 174.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 43.3 mt -97.0 -50.96 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.371 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.421 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 35.1 t30 -137.19 131.58 32.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -175.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -119.01 14.52 13.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.039 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -102.07 2.42 37.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . 0.42 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.4 tp10 -91.48 93.0 8.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 4.1 p -61.48 -22.24 64.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.32 85.35 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.592 0.235 . . . . 0.0 110.943 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.528 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.6 mm -58.32 -45.89 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.908 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.18 -46.2 78.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -62.55 -33.86 75.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.468 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -80.68 -38.0 29.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.591 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 2.8 ttp180 -68.55 -38.61 80.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.192 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.624 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.42 -41.12 88.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.727 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 67.5 tp -60.38 -39.22 86.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.357 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.71 -37.01 83.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.557 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -66.66 -34.29 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.349 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 88.2 mt -63.57 -30.26 71.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.379 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -85.4 -18.7 32.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.187 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 672' ' ' GLN . 72.7 mt -102.56 24.79 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.731 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 27.9 p 45.85 36.59 2.93 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.096 0.873 . . . . 0.0 112.133 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 670' ' ' LEU . 23.3 mt-30 -113.55 57.69 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.647 0.737 . . . . 0.0 109.456 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -67.14 -35.08 78.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.098 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -61.78 -33.56 74.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.45 -43.07 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.265 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.79 82.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.486 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -55.66 -35.63 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.822 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -75.1 -41.23 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.725 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -45.31 94.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.664 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 42.3 m -61.51 -33.45 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.524 178.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.659 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 14.8 t70 -61.51 -55.12 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.78 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.598 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.3 mm100 -60.47 -36.7 78.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.294 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.11 94.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.0 110.985 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.14 -29.51 61.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.659 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.8 mm-40 -65.01 -30.32 71.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.221 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.7 mt -86.4 -44.89 11.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.268 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.66 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.72 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.56 90.35 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.39 0.614 . . . . 0.0 109.67 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.92 10.21 0.57 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.394 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -77.82 101.73 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.524 HG11 HG11 ' A' ' 717' ' ' VAL . 95.4 t -57.54 -39.89 71.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.192 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.692 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 61.5 mtpt -60.24 -37.02 79.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -68.23 -44.61 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -63.12 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.334 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.55 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 66.0 t80 -62.83 -41.58 99.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.045 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.692 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 23.7 mmt180 -65.55 -40.01 92.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.701 0.286 . . . . 0.0 110.331 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . 0.519 ' NH2' ' HB2' ' A' ' 681' ' ' ASP . 23.5 ttm180 -66.9 -40.44 87.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.93 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.48 92.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.475 175.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 87.1 mt -67.06 -38.35 85.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 177.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . 0.404 ' O ' ' HG ' ' A' ' 704' ' ' LEU . . . -60.89 -53.72 53.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.486 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 57.8 m-70 -61.59 -37.3 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.45 -46.48 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.444 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.34 -20.98 75.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 700' ' ' ALA . 55.4 mt -93.43 6.52 47.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 109.849 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 60.34 29.81 19.31 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.046 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -100.61 69.17 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.032 -0.985 . . . . 0.0 108.778 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 37.0 m-85 -76.35 -27.08 56.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.542 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.93 -36.8 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.363 0.601 . . . . 0.0 109.411 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . 0.525 ' HZ1' ' HB3' ' A' ' 709' ' ' LYS . 0.9 OUTLIER -72.02 -48.01 47.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.268 178.584 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 28.4 t -59.53 -41.36 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.609 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.61 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.58 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 110.159 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -78.14 -35.66 48.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 718' ' ' ILE . 91.2 mt -65.89 -48.38 71.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 23.0 m-80 -59.02 -35.5 73.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -63.61 -42.61 98.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.524 HG11 HG11 ' A' ' 691' ' ' VAL . 69.0 t -60.42 -42.68 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -61.48 -30.46 48.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 79.8 mt -78.86 -39.18 35.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 111.171 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.48 -41.83 54.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.674 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -146.21 89.88 5.86 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.119 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.48 5.87 4.84 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.762 2.308 . . . . 0.0 112.847 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.7 p -102.6 4.3 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.929 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.459 HG23 ' H ' ' A' ' 727' ' ' ALA . 13.5 mt -83.19 99.5 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -60.33 -36.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.678 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 25.1 mm-40 -57.34 -44.29 84.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.459 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -70.49 -31.79 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . 0.542 ' HB3' ' HZ3' ' A' ' 728' ' ' LYS . 9.1 mtpm? -73.17 -28.8 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.27 0.557 . . . . 0.0 110.33 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.83 -19.93 29.91 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.722 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 35.8 mm-40 -75.51 -56.03 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.252 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.47 -28.56 69.75 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.348 -173.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.55 -28.65 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.332 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -83.36 -43.83 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.449 ' HA ' HD13 ' A' ' 737' ' ' LEU . 84.0 t -60.82 -32.77 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.173 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.3 m -62.68 -34.98 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.515 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 48.0 mtm105 -78.62 -40.18 35.1 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 734' ' ' VAL . 91.5 mt -59.16 -39.08 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.638 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.85 -34.33 76.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.841 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.68 -6.21 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.823 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 76.5 mt -69.82 164.35 23.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -86.56 -27.02 24.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.281 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.219 177.368 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.81 52.84 4.39 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 112.988 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -122.75 114.44 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 95.7 mmm -76.18 118.65 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.242 0.544 . . . . 0.0 111.192 -176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 45.8 p -123.49 179.6 4.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.258 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 91.1 t80 -56.17 -42.67 77.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.215 0.531 . . . . 0.0 110.557 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.07 -40.91 82.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.05 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.404 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 82.6 mt -60.6 -44.06 96.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.647 177.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.52 -49.53 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.4 mt-10 -64.94 -43.92 91.17 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.448 -176.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -63.81 -33.79 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.489 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -62.84 -45.69 95.17 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 172.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.64 -43.65 85.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.264 177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.4 mm-40 -62.57 -40.19 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.569 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 77.4 m -65.29 -38.93 91.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 176.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 630' ' ' GLY . 75.5 t -59.26 -51.13 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.833 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -67.95 -19.73 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.401 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -96.42 6.47 48.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.564 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . 0.456 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 59.4 mttp 62.91 24.41 14.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 65.8 t30 -112.3 63.34 0.63 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.725 0.774 . . . . 0.0 109.039 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.456 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 77.8 m-85 -68.9 -27.2 65.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.056 . . . . 0.0 111.612 -172.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -62.81 -30.48 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.28 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.23 -24.98 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.505 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.99 98.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.732 174.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.3 mt -55.31 -42.82 74.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.836 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.2 m -62.1 -38.37 88.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.126 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.26 -40.79 43.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.791 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.89 -29.22 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.216 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 33.4 t -61.96 -41.93 98.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 110.01 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.93 -21.5 60.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.459 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.3 m -66.21 -40.87 90.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.124 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.81 -11.41 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.211 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.7 -33.37 72.43 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.367 0.603 . . . . 0.0 109.587 169.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.2 mt -95.82 -53.28 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.245 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.4 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 35.1 t30 -141.18 127.46 19.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.278 -172.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -116.58 9.22 14.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . 0.455 ' C ' HD13 ' A' ' 686' ' ' LEU . 21.0 tptm -90.59 -11.8 38.9 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.621 0.725 . . . . 0.0 110.072 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.02 98.99 9.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.699 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 3.7 p -60.87 -23.94 65.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.747 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.77 69.49 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 111.4 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.573 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -71.01 -47.92 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.1 m-85 -65.48 -41.7 93.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.583 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 23.3 p -61.36 -50.92 70.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.949 0.404 . . . . 0.0 110.775 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -70.61 -31.39 68.34 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.945 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.573 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 6.4 ttp180 -68.23 -42.38 79.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.559 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.46 -41.14 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.421 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.5 -37.62 75.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.081 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.58 -48.4 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.487 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -58.1 -31.19 66.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.686 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.5 mt -61.29 -32.6 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.413 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.425 ' HG2' ' CE2' ' A' ' 639' ' ' TYR . 5.1 mptp? -83.1 -26.11 31.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.206 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.41 13.0 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.529 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 77.5 m 59.69 29.19 18.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.967 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -103.97 61.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.405 0.622 . . . . 0.0 109.474 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -66.78 -33.4 75.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.131 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.17 -39.58 95.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.22 -43.5 64.33 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -56.82 -39.54 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.688 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -55.6 -45.96 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.137 0.494 . . . . 0.0 110.476 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.31 -176.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 10.0 m-20 -65.07 -45.89 83.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.349 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 47.4 m -62.45 -35.58 79.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.94 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 25.2 t70 -62.52 -46.8 86.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.182 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.574 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 17.6 mm100 -60.75 -39.44 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.57 91.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.13 -29.7 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.24 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.8 mt-30 -63.66 -29.93 71.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.3 mt -88.57 -45.25 10.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.35 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.97 104.05 8.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.654 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -79.48 90.4 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.999 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 134.23 20.07 0.84 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.52 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -79.62 105.29 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.525 HG13 HG13 ' A' ' 717' ' ' VAL . 59.7 t -58.75 -39.96 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.779 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 696' ' ' ARG . 29.4 mmmt -63.95 -34.75 78.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.065 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.12 -44.17 63.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.286 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -61.59 -47.18 86.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.888 0.375 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.479 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.1 t80 -58.58 -39.62 80.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' A' ' 692' ' ' LYS . 52.6 mtt85 -72.94 -39.52 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.557 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -66.13 -34.97 79.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.02 90.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.562 173.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.4 mt -63.68 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.03 69.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.6 m-70 -63.18 -37.4 87.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.792 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -40.48 83.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -73.17 -26.43 70.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.081 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.01 10.65 23.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.657 0.265 . . . . 0.0 110.832 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 61.31 29.3 18.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.399 0.619 . . . . 0.0 110.804 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 94.5 m-20 -106.01 67.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -73.21 -29.23 62.66 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.329 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -63.21 -35.91 81.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.595 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -77.64 -39.93 43.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.726 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.9 t -64.54 -41.66 96.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.128 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.27 -35.17 73.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.237 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.1 -36.28 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.572 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -82.31 -36.07 27.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.613 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.2 mt -67.51 -48.5 66.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.425 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -63.4 -25.82 68.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.09 -48.11 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.525 HG13 HG13 ' A' ' 691' ' ' VAL . 77.5 t -56.1 -36.55 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.498 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.613 HG12 ' O ' ' A' ' 714' ' ' LEU . 40.4 mm -61.71 -28.93 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.34 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 57.5 mt -84.5 -42.27 15.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.539 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.58 -36.8 76.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.66 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -151.51 93.06 3.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.236 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.51 2.96 6.3 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.774 2.316 . . . . 0.0 113.426 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.1 p -103.09 10.43 37.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 0.0 110.946 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.417 HG23 ' H ' ' A' ' 727' ' ' ALA . 16.7 mt -87.88 104.34 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.029 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.8 mm -69.08 -38.31 78.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.09 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.68 -35.4 76.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.464 ' O ' HD13 ' A' ' 731' ' ' LEU . . . -70.2 -29.47 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.746 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -73.91 -26.39 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.189 0.519 . . . . 0.0 110.275 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.6 mmt -86.94 -19.81 28.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.037 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.68 -52.62 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.503 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -26.96 67.06 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.15 -174.731 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.499 ' N ' HD12 ' A' ' 731' ' ' LEU . 0.0 OUTLIER -73.28 -26.36 61.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.65 . . . . 0.0 109.847 178.135 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.17 -46.88 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.517 ' HA ' HD13 ' A' ' 737' ' ' LEU . 83.3 t -62.5 -36.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.719 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 47.0 m -63.5 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.334 177.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 48.9 mtm105 -80.55 -39.77 27.14 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 734' ' ' VAL . 57.7 mt -57.14 -41.36 78.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.814 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.55 -36.78 84.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.727 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -81.81 -4.23 55.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.004 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 68.1 mt -79.77 -175.64 4.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.657 0.265 . . . . 0.0 110.871 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.09 -58.12 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.731 0.3 . . . . 0.0 110.616 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.066 179.184 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.44 3.99 7.4 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.931 2.421 . . . . 0.0 112.859 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -108.43 101.29 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.287 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 86.9 mtp 65.46 175.27 0.21 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.751 0.657 . . . . 0.0 111.611 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.408 ' H ' ' HB2' ' A' ' 625' ' ' ALA . 42.9 p -127.93 176.9 7.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.078 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 86.9 t80 -58.39 -42.66 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.048 0.451 . . . . 0.0 110.255 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.14 -44.26 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.542 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . 0.408 ' HB2' ' H ' ' A' ' 622' ' ' THR . . . -62.95 -45.29 93.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.839 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.449 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 73.7 mt -62.44 -42.6 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.18 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.421 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 28.3 mm-40 -59.59 -46.09 89.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.491 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.73 -39.26 87.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.567 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.64 -43.37 96.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.794 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.75 -41.33 77.37 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.607 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.6 mm-40 -63.94 -39.24 93.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.63 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 66.1 m -66.52 -38.25 86.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.446 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.36 -47.54 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.0 110.484 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -70.42 -23.97 62.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.84 -2.68 56.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.32 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt 64.31 27.63 13.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.404 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -112.18 73.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.073 176.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.552 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.9 m-85 -73.84 -21.2 60.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.787 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -58.39 -43.59 88.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.363 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.86 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.119 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.32 79.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.666 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 94.6 mt -53.66 -48.84 69.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.751 176.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.2 m -62.22 -42.6 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.827 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.27 -46.61 69.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.272 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.61 -31.24 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.717 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 48.9 m -67.93 -30.8 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.974 0.416 . . . . 0.0 110.236 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.97 -32.16 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 174.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 70.1 m -62.66 -49.6 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.791 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.1 mt -56.68 -35.5 68.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.558 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 647' ' ' SER . 63.7 mttm -62.21 -23.11 66.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.444 . . . . 0.0 110.639 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.5 mt -96.23 -40.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.404 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 43.3 t30 -149.68 123.38 9.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.601 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -111.66 20.72 16.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.504 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -103.81 9.99 36.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.65 98.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.261 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 19.8 p -62.69 -25.17 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.594 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.16 78.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.757 0.313 . . . . 0.0 111.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.509 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 47.3 mm -62.32 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 64.6 m-85 -66.23 -46.35 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' THR . . . . . 0.408 ' CG2' ' HG3' ' A' ' 692' ' ' LYS . 7.4 p -62.03 -35.59 79.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.766 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -80.14 -37.93 32.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.537 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.53 ' HB3' ' OD1' ' A' ' 679' ' ' ASP . 3.8 ttp180 -68.51 -36.05 78.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.748 0.308 . . . . 0.0 110.276 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.508 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -63.13 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.285 174.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.63 -41.24 66.5 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 639' ' ' TYR . 76.8 m -62.87 -50.9 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.646 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . 0.446 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 9.3 m-85 -56.29 -39.86 73.37 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.416 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -57.58 -40.5 79.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.304 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -72.4 -28.64 63.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.4 13.15 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.973 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.7 m 60.76 35.43 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.569 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . 0.446 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 75.7 mt-30 -106.97 67.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -70.68 -36.28 73.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.983 -169.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.5 -41.36 97.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 110.314 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.48 -34.96 65.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.069 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.8 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -55.44 -48.3 74.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.591 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.52 -43.58 96.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.371 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.53 ' OD1' ' HB3' ' A' ' 663' ' ' ARG . 5.9 m-20 -59.13 -45.77 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 61.0 m -60.83 -39.0 87.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.618 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 35.6 t70 -64.27 -46.06 85.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.308 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.411 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.1 mm100 -61.54 -34.49 75.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.67 99.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.58 -28.23 63.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.24 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.618 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.9 mm100 -60.29 -38.53 83.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.086 174.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.3 mt -83.68 -46.26 12.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.339 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -120.88 102.58 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.925 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.44 92.76 7.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.012 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 130.59 21.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.555 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . 0.686 ' OD1' ' HG2' ' A' ' 692' ' ' LYS . 41.7 t-20 -83.1 106.98 15.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.524 HG11 HG12 ' A' ' 717' ' ' VAL . 86.0 t -57.04 -43.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.176 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.686 ' HG2' ' OD1' ' A' ' 690' ' ' ASN . 17.6 ptmt -66.74 -30.31 70.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.774 0.321 . . . . 0.0 110.793 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -66.53 -41.52 88.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.522 177.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.92 -46.12 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 110.137 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.547 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 64.9 t80 -58.7 -45.57 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.221 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 25.4 mmt180 -67.72 -35.52 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -68.86 -39.07 80.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.684 0.278 . . . . 0.0 110.416 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.23 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 77.7 mt -66.41 -38.72 88.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.45 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.2 m-70 -61.64 -36.52 81.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -58.55 -44.13 89.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.029 0.442 . . . . 0.0 110.087 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.46 -22.73 78.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.529 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 74.6 mt -93.86 12.45 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.777 0.322 . . . . 0.0 110.686 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 61.77 25.85 15.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.216 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.73 69.18 1.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.62 -32.14 60.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.836 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -65.0 -34.26 78.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.498 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -76.24 -42.77 44.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.476 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.88 -41.29 97.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.228 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 42.3 mt -58.12 -34.34 70.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.324 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 708' ' ' GLN . 66.1 mt -61.96 -41.1 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.38 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.405 ' O ' HG22 ' A' ' 717' ' ' VAL . 64.5 m-20 -77.18 -35.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.586 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.4 mt -66.82 -48.34 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.463 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.686 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.3 m-80 -58.63 -37.33 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.644 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 13.1 tptm -61.41 -43.9 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.344 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.524 HG12 HG11 ' A' ' 691' ' ' VAL . 70.6 t -60.12 -42.22 89.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.758 174.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -62.19 -31.62 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.801 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 65.8 mt -73.82 -45.12 53.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.312 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 85.7 mt -69.03 -46.13 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.912 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -151.59 97.73 3.08 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 121.214 0.53 . . . . 0.0 110.562 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.3 11.72 2.56 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.179 2.586 . . . . 0.0 112.675 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 40.6 m -96.65 -6.46 36.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.995 0.426 . . . . 0.0 110.354 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . . . . . . . . . 12.7 mt -79.91 103.26 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.0 mm -62.64 -33.71 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.427 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 36.9 mt-10 -53.4 -51.76 61.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.166 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . . . . . . . . . . . -66.9 -30.27 70.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.105 -177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.12 -29.99 68.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 729' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 24.2 mmt -87.61 -20.39 26.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.605 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 15.6 mm-40 -83.04 -45.16 14.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.96 -27.19 67.26 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.668 -176.596 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.495 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.6 pt-20 -71.42 -39.16 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 33.3 tt0 -66.56 -50.66 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.287 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.488 ' HA ' HD11 ' A' ' 737' ' ' LEU . 96.0 t -60.83 -32.09 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.993 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 91.8 m -63.76 -39.44 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.483 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.402 ' O ' ' HB3' ' A' ' 740' ' ' LEU . 61.5 mtm-85 -75.22 -30.58 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.239 0.542 . . . . 0.0 109.812 -176.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 734' ' ' VAL . 69.6 mt -69.73 -40.73 76.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.184 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.3 tp -68.94 -39.43 79.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.882 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -17.14 64.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.509 HD12 ' N ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -101.83 151.23 22.32 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -178.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . 0.509 ' N ' HD12 ' A' ' 740' ' ' LEU . 22.0 tptm -89.06 50.83 2.02 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.73 1.252 . . . . 0.0 109.881 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 112.329 -2.214 . . . . 0.0 111.45 178.747 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 116.73 3.45 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.739 2.292 . . . . 0.0 112.094 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -80.82 89.33 5.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.967 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' MET . . . . . 0.491 ' HE3' ' OE1' ' A' ' 629' ' ' GLU . 66.2 mtp 70.2 116.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.848 -174.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 43.5 p -93.1 179.66 5.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -176.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.648 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.9 t80 -53.78 -40.86 66.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.519 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . 0.46 ' HZ3' ' HB2' ' A' ' 624' ' ' LYS . 8.6 mtmp? -61.21 -44.06 97.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.19 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.037 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.405 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 76.9 mt -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.115 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.56 -46.7 89.21 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 37.5 mm-40 -62.89 -43.54 98.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.463 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . 0.491 ' OE1' ' HE3' ' A' ' 621' ' ' MET . 26.8 mt-10 -59.36 -41.15 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.094 176.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.04 97.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.682 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -59.4 -37.73 78.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.695 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 31.4 mm-40 -68.76 -39.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.71 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 78.8 m -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.38 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.05 -41.68 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.452 . . . . 0.0 110.52 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.59 -36.48 83.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.654 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.18 -9.83 59.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 70.8 26.37 3.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.957 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -97.66 64.44 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.451 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 61.9 m-85 -68.79 -33.57 74.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.284 -171.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -62.21 -35.08 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 9.2 t70 -89.76 -27.84 19.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 0.0 110.038 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.71 -33.66 68.63 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.23 -46.52 65.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.803 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 35.7 t -66.26 -45.17 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.324 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 30.0 mmmt -56.68 -45.21 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -72.15 -31.66 66.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.339 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 56.6 m -70.25 -29.07 65.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.89 0.376 . . . . 0.0 110.4 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 644' ' ' SER . 17.5 mm-40 -63.01 -32.67 74.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 0.0 109.839 173.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.648 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.3 m -70.6 -41.33 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.715 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.81 -30.05 68.65 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.394 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -65.45 -24.41 67.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.762 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 30.1 mt -96.52 -47.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.484 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.67 125.97 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.123 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -109.8 7.44 24.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -96.67 13.64 27.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . 0.484 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.6 tp10 -105.22 100.82 10.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 10.6 p -60.32 -26.75 66.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.757 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.76 -31.68 72.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.5 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.2 mm -68.96 -50.16 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.14 -42.79 99.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 61.3 p -66.94 -41.34 87.14 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.319 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -73.27 -33.45 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.8 ttp180 -68.06 -39.74 82.94 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.18 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.315 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 60.8 tp -56.72 -41.59 77.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.51 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.3 m -64.13 -49.16 73.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.264 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -53.78 -38.81 64.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.5 mt -57.09 -32.98 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.587 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.451 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.3 mptp? -84.8 -23.79 28.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.509 -177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.04 17.09 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 110.318 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 37.9 m 65.13 17.51 11.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.737 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -96.82 61.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.71 -37.11 85.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.42 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.14 -38.22 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.296 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.58 -39.71 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.94 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.53 91.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.807 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.49 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -53.17 -38.58 62.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.146 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.39 -46.58 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -37.87 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.933 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 57.0 m -61.33 -37.47 83.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.596 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.4 t70 -69.33 -43.48 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.4 mm100 -59.28 -38.78 81.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.19 81.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.069 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.58 -28.69 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -60.46 -35.58 76.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.059 0.457 . . . . 0.0 109.886 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 32.4 mt -80.1 -50.2 10.66 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.61 104.26 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -80.35 94.37 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.99 22.62 0.91 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -94.2 104.01 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.553 HG11 HG11 ' A' ' 717' ' ' VAL . 62.9 t -52.65 -43.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.597 -172.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.718 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 43.2 mmtm -57.41 -35.35 69.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.513 0.196 . . . . 0.0 111.241 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.68 70.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -66.67 -42.34 86.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.005 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.606 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 31.5 t80 -62.33 -47.15 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.873 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 27.1 mmt180 -65.42 -39.06 91.66 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -63.46 -47.63 81.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.537 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . 0.463 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -54.93 -45.65 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.173 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 90.2 mt -61.92 -39.96 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.44 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.43 -53.04 60.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.923 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.49 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 53.3 m-70 -60.38 -35.44 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.15 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.79 -49.02 78.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.036 0.446 . . . . 0.0 110.475 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -66.74 -23.8 72.53 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.684 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.9 mt -89.87 11.06 21.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 0.0 110.644 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.85 25.3 15.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.375 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -104.16 73.44 1.13 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -76.95 -35.63 57.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.138 -169.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.438 ' O ' HG13 ' A' ' 712' ' ' ILE . 8.0 tp-100 -69.46 -35.15 75.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -69.11 -39.19 79.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.161 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.8 t -67.12 -42.74 83.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.1 mt -55.99 -34.15 65.5 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 708' ' ' GLN . 78.0 mt -59.51 -45.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.354 . . . . 0.0 110.729 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 717' ' ' VAL . 5.6 m-20 -86.38 -20.41 28.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.376 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 718' ' ' ILE . 26.0 mt -69.96 -52.26 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.307 173.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.577 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 35.1 m-80 -58.21 -31.89 67.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 110.019 174.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . 0.625 ' O ' HD22 ' A' ' 720' ' ' LEU . 13.3 tptm -62.0 -48.97 77.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.632 177.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.553 HG11 HG11 ' A' ' 691' ' ' VAL . 72.4 t -55.18 -40.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.807 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.553 HD12 HD21 ' A' ' 731' ' ' LEU . 38.1 mm -61.28 -29.38 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.0 mt -70.5 -58.21 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . 0.625 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -58.27 -58.72 7.22 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.512 0.672 . . . . 0.0 111.24 177.422 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -135.18 89.69 22.96 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.203 -173.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.31 8.77 3.7 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.919 2.413 . . . . 0.0 112.172 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 18.5 m -98.81 7.86 45.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 110.415 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.477 HG22 ' H ' ' A' ' 727' ' ' ALA . 28.6 mt -91.61 106.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.281 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.3 -36.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.409 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 15.2 mm-40 -61.03 -38.85 87.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.851 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.477 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -67.82 -42.52 81.36 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . 0.552 ' HB3' ' HZ2' ' A' ' 728' ' ' LYS . 4.0 mmmp? -55.5 -32.71 63.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.987 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 21.2 mmt -83.48 -19.12 36.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.029 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.6 mm-40 -84.47 -43.05 14.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.553 HD21 HD12 ' A' ' 718' ' ' ILE . 0.0 OUTLIER -63.21 -32.72 74.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.068 -179.133 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 10.9 pt-20 -74.04 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.105 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 35.1 tt0 -64.7 -53.65 44.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.46 ' HA ' HD11 ' A' ' 737' ' ' LEU . 85.4 t -62.68 -31.6 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.668 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.4 m -65.68 -36.52 83.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.293 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 34.3 mtm-85 -74.76 -30.84 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 79.5 mt -69.38 -40.09 77.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.178 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.31 -31.26 71.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.576 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.062 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 82.2 mt -84.69 167.05 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.484 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -108.86 -21.68 12.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.806 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.22 91.8 1.03 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.217 2.612 . . . . 0.0 112.131 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -104.09 -58.31 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 90.2 mtp -136.96 135.84 38.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.539 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.7 p -82.73 164.74 20.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.319 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 37.0 t80 -49.8 -42.82 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.098 0.475 . . . . 0.0 110.402 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -56.33 -41.73 76.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.297 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -65.85 -57.51 7.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.459 ' HG ' ' CB ' ' A' ' 648' ' ' GLU . 3.1 mm? -55.64 -41.72 73.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -61.69 -51.44 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.625 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -65.99 -45.39 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.327 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.77 -39.4 91.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.516 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.74 -45.63 95.36 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.778 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -54.98 -42.51 72.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.545 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.64 -36.96 85.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.009 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.1 m -66.75 -37.54 84.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.347 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.95 -44.67 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.471 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.61 -35.76 82.06 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.341 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.59 -7.29 52.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 65.95 30.01 9.97 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.685 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -107.61 68.02 0.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.452 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 57.1 m-85 -71.16 -30.0 65.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.173 -168.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -65.24 -29.45 70.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -88.41 -31.23 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.996 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.92 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.0 mt -54.36 -45.58 72.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.699 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 23.0 t -58.58 -48.09 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -59.01 -51.72 68.87 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.496 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.29 -32.95 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.821 -175.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 68.8 m -66.84 -30.26 70.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.721 0.296 . . . . 0.0 110.473 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.459 ' CB ' ' HG ' ' A' ' 626' ' ' LEU . 70.6 mm-40 -72.23 -34.91 68.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 174.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . . . . . . . . . 73.9 m -57.27 -48.63 78.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.294 175.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.71 -36.99 82.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.228 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 51.0 mtpt -59.92 -27.66 66.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.509 . . . . 0.0 110.569 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.8 mt -91.71 -40.19 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.658 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 30.9 t30 -149.6 111.82 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.825 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -93.37 6.01 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.733 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -97.56 12.29 33.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.313 -176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.61 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 0.0 111.068 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.2 p -68.72 -20.5 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.782 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 52.0 mm -70.22 -46.88 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.25 -47.14 86.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.046 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 16.9 p -63.87 -34.42 77.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.412 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -73.94 -36.85 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.155 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -64.5 -43.17 94.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.004 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.551 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.42 -45.12 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.81 -39.56 74.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.771 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.82 -43.75 52.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -56.26 -40.66 74.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 86.6 mt -56.13 -36.63 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.845 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -73.34 -25.6 60.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.283 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.88 16.81 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 0.0 110.575 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.81 20.7 12.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.866 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.64 65.89 3.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.246 0.546 . . . . 0.0 110.25 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.023 -176.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.23 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.99 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.85 -42.6 23.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.324 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.39 77.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.538 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.61 ' HZ3' ' CG ' ' A' ' 701' ' ' HIS . 11.6 ttmm -58.99 -41.52 87.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.764 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.63 -47.33 84.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.085 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -39.42 92.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.241 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.98 -39.51 89.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.063 0.458 . . . . 0.0 110.407 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 15.5 t70 -66.98 -47.25 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.323 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -60.33 -34.12 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.182 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.21 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.03 -29.46 66.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.141 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -63.52 -35.04 79.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.127 0.489 . . . . 0.0 110.376 176.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 46.3 mt -83.77 -45.37 13.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.415 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -127.33 104.27 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.73 89.61 4.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.711 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.64 24.44 0.54 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.884 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -86.0 107.1 17.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.497 HG11 HG11 ' A' ' 717' ' ' VAL . 84.0 t -57.05 -41.05 76.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.747 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.5 -38.76 85.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.79 76.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.702 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -64.99 -52.0 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.977 0.418 . . . . 0.0 110.765 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.441 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.6 t80 -58.67 -43.18 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.29 -20.75 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.287 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -70.87 -39.06 73.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -57.46 -49.77 75.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.111 172.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.3 mt -59.29 -40.42 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.393 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -65.18 -29.56 70.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.33 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.61 ' CG ' ' HZ3' ' A' ' 677' ' ' LYS . 45.5 m-70 -79.03 -44.02 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.31 -0.244 . . . . 0.0 110.545 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -56.34 -42.42 77.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.48 -22.81 75.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.429 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.428 HD12 ' HZ1' ' A' ' 677' ' ' LYS . 64.8 mt -96.16 12.87 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt 66.45 27.66 9.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.193 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -104.07 84.59 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.647 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 23.7 m-85 -82.25 -34.82 28.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.652 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -66.0 -36.8 84.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 109.53 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.68 -41.68 71.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.801 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 13.6 t -67.26 -34.8 78.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.891 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.19 -34.4 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.219 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.99 -47.65 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 717' ' ' VAL . 72.2 m-20 -73.42 -33.11 64.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.151 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.515 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.3 mt -67.79 -51.87 43.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -59.44 -31.73 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.267 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 720' ' ' LEU . 26.8 tptt -63.46 -49.74 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 176.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.497 HG11 HG11 ' A' ' 691' ' ' VAL . 77.3 t -54.94 -37.07 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.464 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 714' ' ' LEU . 38.3 mm -62.98 -28.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.665 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.2 -50.37 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.997 0.427 . . . . 0.0 109.893 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 716' ' ' LYS . 10.1 mp -56.11 -59.79 4.41 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.934 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -130.5 90.43 41.0 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.276 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.73 5.56 2.85 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.149 2.566 . . . . 0.0 113.239 -177.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 13.1 m -101.13 -3.53 29.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.064 0.459 . . . . 0.0 110.432 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.485 HG21 ' H ' ' A' ' 727' ' ' ALA . 18.5 mt -80.33 101.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.175 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.09 -40.62 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.2 pt-20 -58.69 -35.35 72.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.394 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.485 ' H ' HG21 ' A' ' 724' ' ' ILE . . . -70.45 -33.81 71.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.021 0.438 . . . . 0.0 110.646 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 731' ' ' LEU . 97.8 mttt -72.77 -27.46 62.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.337 0.589 . . . . 0.0 109.733 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.26 -19.9 52.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.323 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.1 mm-40 -82.95 -46.31 13.08 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 732' ' ' GLU . 4.6 pp -60.73 -33.2 72.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 -178.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.541 ' N ' HD11 ' A' ' 731' ' ' LEU . 7.4 pt-20 -72.38 -38.95 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 9.0 tp10 -67.45 -50.44 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.293 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.435 ' HA ' HD13 ' A' ' 737' ' ' LEU . 88.5 t -61.21 -33.05 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.095 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 60.0 m -65.32 -38.7 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.507 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.635 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 46.7 mtm-85 -71.39 -34.15 70.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 83.4 mt -68.06 -44.2 76.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.591 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 53.0 tp -68.13 -29.41 68.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.678 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -82.28 -11.85 58.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.108 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 50.4 mt -67.04 166.85 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 110.583 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -89.16 -9.79 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.848 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.895 178.324 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.8 128.24 19.5 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.941 2.428 . . . . 0.0 112.036 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -79.92 -19.81 47.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 63.9 mtp -82.09 107.62 14.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 0.0 110.348 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 64.8 p -108.74 -174.01 2.41 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.649 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.7 t80 -56.88 -38.29 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.154 0.502 . . . . 0.0 110.029 174.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . 0.409 ' HD2' ' H ' ' A' ' 624' ' ' LYS . 1.2 mptp? -68.01 -43.81 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.29 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.06 75.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.677 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . 0.45 ' HB3' ' HG ' ' A' ' 649' ' ' CYS . 81.3 mt -57.09 -44.87 83.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.659 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.88 -56.48 21.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.004 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.7 mm-40 -59.76 -44.76 93.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.626 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.48 -36.53 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.629 0.252 . . . . 0.0 110.334 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.417 ' O ' HG22 ' A' ' 634' ' ' VAL . . . -63.23 -40.83 99.52 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.592 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -59.46 -38.11 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 110.253 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 26.5 mm-40 -66.44 -31.49 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.588 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 56.1 m -72.46 -39.3 67.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.114 176.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 630' ' ' GLY . 93.9 t -62.2 -46.35 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.878 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.66 -25.26 62.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.006 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.26 -4.86 54.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.26 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 63.59 25.9 14.49 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.93 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.82 65.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.18 -29.26 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.06 -170.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.38 -32.44 73.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 26.5 t70 -82.71 -33.5 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.059 0.457 . . . . 0.0 109.924 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.62 84.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.807 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 91.3 mt -54.18 -48.2 71.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.805 177.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 33.5 t -60.74 -37.91 83.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.613 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 31.3 mmmt -67.89 -51.48 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -66.55 -32.17 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.593 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 49.6 m -68.49 -27.29 66.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.07 -23.31 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.546 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.2 m -66.51 -39.36 88.63 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.76 -10.82 60.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.757 0.789 . . . . 0.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -78.11 -26.43 48.01 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.912 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 40.7 mt -99.57 -51.46 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.26 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.499 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 33.7 t30 -139.86 132.84 29.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -173.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -122.2 18.23 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.401 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -105.68 10.82 32.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.312 0.577 . . . . 0.0 110.332 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.37 99.39 9.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.661 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 9.2 p -62.15 -25.4 67.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.71 72.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.344 . . . . 0.0 111.329 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 48.6 mm -66.35 -46.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.113 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -67.43 -45.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.334 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 25.8 p -63.62 -41.66 98.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.692 0.282 . . . . 0.0 111.383 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -75.78 -32.62 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.548 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -67.45 -38.95 85.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.453 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.66 -43.28 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.666 175.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.45 -42.4 82.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.9 -40.35 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.889 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -65.0 -40.36 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.382 178.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -57.65 -40.08 78.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.886 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.4 -32.55 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 67.8 mt -91.01 12.53 19.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.654 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 12.7 t 63.86 26.04 14.18 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.276 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -103.96 77.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 109.565 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -71.94 -42.4 66.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.5 -172.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.31 -37.52 75.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.504 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -68.32 -50.48 53.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.132 0.491 . . . . 0.0 109.912 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.76 -35.07 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.498 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.482 ' HE3' ' CE1' ' A' ' 701' ' ' HIS . 29.1 tttt -67.53 -47.2 70.59 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 -177.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 681' ' ' ASP . 47.2 mt-30 -68.59 -34.15 75.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.5 -46.35 89.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.574 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.65 -32.07 73.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.993 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 678' ' ' GLN . 28.1 m-20 -60.51 -45.62 93.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.0 mm100 -64.69 -39.5 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.754 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.44 93.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.49 -27.16 63.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.531 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.09 -20.31 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.4 mt -97.44 -43.27 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -122.81 103.78 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.991 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.13 89.15 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.104 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.55 16.13 1.35 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.054 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -75.21 105.24 6.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.516 HG11 HG11 ' A' ' 717' ' ' VAL . 88.7 t -59.01 -39.53 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.101 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.96 -32.2 73.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.617 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.88 66.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.66 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -66.01 -49.13 68.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.088 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.525 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 78.5 t80 -58.33 -43.9 88.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.513 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -80.36 -26.89 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.563 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -69.41 -36.93 77.19 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . 0.422 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -60.56 -47.47 86.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.754 174.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 88.6 mt -59.59 -39.21 83.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 677' ' ' LYS . . . -67.71 -50.9 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.482 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 38.8 m-70 -55.6 -42.61 75.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 110.144 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.84 -46.02 81.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.118 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.07 -21.02 73.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.444 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.43 6.54 48.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.362 . . . . 0.0 110.462 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 65.4 mttp 65.36 24.22 12.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -94.69 66.65 3.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -75.57 -33.8 60.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.382 -168.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.89 -33.59 76.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.372 0.606 . . . . 0.0 109.639 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -77.08 -43.19 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 20.0 t -62.31 -41.03 98.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.467 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.69 -31.35 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.699 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.81 -38.07 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.979 0.418 . . . . 0.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.44 ' O ' HG21 ' A' ' 717' ' ' VAL . 84.3 m-20 -79.08 -37.42 38.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.591 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.6 mt -65.06 -46.28 81.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.367 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.629 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 24.0 m-80 -62.22 -37.71 86.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.82 -44.51 90.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.404 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.516 HG11 HG11 ' A' ' 691' ' ' VAL . 76.2 t -60.65 -37.57 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.699 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.591 HG12 ' O ' ' A' ' 714' ' ' LEU . 42.6 mm -66.48 -29.45 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.054 0.454 . . . . 0.0 110.547 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 53.2 mt -76.84 -43.3 36.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.31 -48.04 58.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.815 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -144.35 91.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.111 0.481 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.88 7.64 2.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.008 2.472 . . . . 0.0 112.642 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.5 m -93.15 -5.95 49.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.428 HG22 ' H ' ' A' ' 727' ' ' ALA . 25.1 mt -84.02 103.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.151 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.1 -33.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.232 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -54.07 -46.85 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.784 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.428 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.99 -27.06 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 -177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.17 -31.88 70.82 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.291 0.567 . . . . 0.0 110.06 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.7 mmt -85.35 -27.88 25.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.851 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.471 ' O ' HG21 ' A' ' 734' ' ' VAL . 16.8 mm-40 -77.52 -45.01 26.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.341 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.431 ' HA ' HD11 ' A' ' 714' ' ' LEU . 0.3 OUTLIER -68.57 -30.09 68.78 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.083 -176.105 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.64 -35.81 75.54 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.92 -50.75 39.04 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.088 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 730' ' ' GLU . 86.4 t -58.46 -34.77 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 98.6 m -60.92 -41.32 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -76.47 -36.24 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.607 . . . . 0.0 109.598 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 734' ' ' VAL . 68.9 mt -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.747 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.18 -33.67 76.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.773 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.37 -25.45 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.862 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.32 163.33 28.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.439 . . . . 0.0 110.273 175.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -105.61 -34.43 7.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -177.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.4 120.94 9.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.85 2.367 . . . . 0.0 112.381 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -86.93 -35.2 19.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.05 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.47 131.87 51.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.239 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' THR . . . . . 0.407 ' H ' ' HB2' ' A' ' 625' ' ' ALA . 43.6 p -113.62 177.01 4.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.9 t80 -57.33 -45.5 84.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.023 0.439 . . . . 0.0 110.228 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -66.24 -41.54 89.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.645 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . 0.407 ' HB2' ' H ' ' A' ' 622' ' ' THR . . . -65.29 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.664 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.75 -38.05 62.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -71.8 -36.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 629' ' ' GLU . 10.1 pt-20 -66.23 -43.32 86.96 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.735 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 628' ' ' GLU . 8.9 pt-20 -74.18 -28.85 61.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -62.45 -44.69 97.25 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.38 -36.1 73.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 110.446 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.3 mm-40 -66.35 -42.45 88.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.422 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 81.3 m -64.26 -36.92 85.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 630' ' ' GLY . 88.0 t -61.93 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.92 -24.47 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.845 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.5 -10.43 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.435 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 71.54 22.15 4.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.871 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -104.99 73.15 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.689 0.757 . . . . 0.0 109.11 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.484 ' CD2' ' HA ' ' A' ' 666' ' ' CYS . 77.8 m-85 -74.99 -32.05 61.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.688 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -58.89 -34.59 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.251 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 6.6 m-20 -86.22 -32.1 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.589 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.34 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 98.6 mt -52.5 -48.15 66.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 22.2 t -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.746 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 71.5 mmtt -58.13 -52.18 66.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.326 0.584 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -67.99 -28.36 67.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.415 -178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.3 m -65.96 -35.98 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.959 0.409 . . . . 0.0 110.335 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.01 -30.6 63.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.219 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.7 m -62.06 -42.64 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.263 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.5 -32.13 72.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.29 -29.56 70.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.37 0.605 . . . . 0.0 110.049 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.1 mt -90.36 -47.81 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.558 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -146.77 125.64 12.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -108.78 1.81 21.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . 0.407 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.8 mmtm -95.44 16.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.44 . . . . 0.0 110.949 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -105.53 108.07 19.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.468 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 15.7 p -67.21 -23.52 65.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.192 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.53 80.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.5 -53.21 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.653 177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.488 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 63.2 m-85 -59.08 -47.11 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.556 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.6 p -60.61 -35.16 75.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -75.57 -39.06 58.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.117 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -61.7 -41.44 97.61 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.58 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.83 -46.56 84.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.56 -40.97 84.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 110.29 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . 0.484 ' HA ' ' CD2' ' A' ' 639' ' ' TYR . 84.7 m -65.01 -49.13 71.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.573 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . 0.418 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 12.2 m-85 -56.11 -41.57 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.33 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.2 mt -55.36 -38.02 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.511 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.483 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 33.4 mmtp -77.28 -23.04 51.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.555 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.48 11.07 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.814 0.34 . . . . 0.0 110.341 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.95 20.98 12.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . 0.418 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 48.1 mt-30 -90.05 65.54 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.323 0.582 . . . . 0.0 109.484 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.401 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 41.6 m-85 -69.13 -36.33 77.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.367 -172.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.76 -45.62 85.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.63 -36.66 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.341 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.34 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.999 0.428 . . . . 0.0 110.786 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.7 ttmt -56.43 -48.93 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.71 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -68.14 -38.42 82.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.496 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -64.78 -43.36 93.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.822 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.997 0.427 . . . . 0.0 110.122 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.583 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 16.1 t70 -63.89 -48.72 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.305 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -60.13 -35.26 74.89 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 176.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.22 83.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.747 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.13 -29.63 60.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 72.5 mm-40 -60.63 -35.36 75.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.298 0.57 . . . . 0.0 109.766 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.407 HD13 ' C ' ' A' ' 655' ' ' LYS . 30.5 mt -88.46 -38.47 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.101 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.78 104.14 7.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.58 88.92 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.539 . . . . 0.0 110.076 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.77 20.09 0.7 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.762 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -86.74 107.13 18.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.524 HG13 HG11 ' A' ' 717' ' ' VAL . 50.2 t -58.42 -41.46 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.609 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.12 -36.4 77.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -44.49 68.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.57 -51.9 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.466 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.9 t80 -59.52 -41.63 90.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.329 -175.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.41 -25.71 38.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.565 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -71.31 -36.37 71.58 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.65 98.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.496 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 92.2 mt -64.94 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -63.31 -50.88 68.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.492 177.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.504 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 49.3 m-70 -61.06 -39.04 88.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.922 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.71 -38.64 72.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.817 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.76 -29.77 58.86 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.527 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.59 7.84 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 110.99 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 65.42 33.62 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . 0.423 ' HB3' ' CG ' ' A' ' 709' ' ' LYS . 42.4 m-80 -106.62 65.91 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -70.99 -32.03 68.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.3 tp-100 -66.28 -40.04 89.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.161 0.505 . . . . 0.0 109.667 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . 0.423 ' CG ' ' HB3' ' A' ' 706' ' ' ASN . 29.0 mmtp -69.3 -41.47 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.0 t -62.02 -42.83 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.116 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.13 -34.38 71.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.496 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.6 mt -62.81 -35.85 72.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.012 0.434 . . . . 0.0 110.474 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 717' ' ' VAL . 63.9 m-20 -81.51 -36.52 29.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.564 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.0 mt -66.36 -48.13 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.526 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.415 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.1 m-80 -61.9 -31.24 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 176.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . 0.613 ' O ' HD21 ' A' ' 720' ' ' LEU . 17.7 tptm -66.08 -45.16 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.355 176.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.524 HG11 HG13 ' A' ' 691' ' ' VAL . 71.4 t -55.72 -38.6 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.704 175.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.564 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.8 mm -62.04 -25.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.628 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.0 mt -75.57 -55.53 5.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.738 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . 0.613 HD21 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -57.52 -59.02 5.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.377 0.608 . . . . 0.0 111.256 176.015 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.36 95.08 8.31 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.193 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 8.41 3.85 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.032 2.488 . . . . 0.0 112.729 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 5.4 t -96.01 -7.54 36.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.423 0.63 . . . . 0.0 109.583 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . . . . . . . . . 21.4 mt -74.06 108.15 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.882 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.6 mm -60.68 -38.67 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.333 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -56.88 -45.88 82.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.75 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.808 -178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . 0.524 ' HB3' ' HZ2' ' A' ' 728' ' ' LYS . 4.0 mmmp? -72.99 -27.81 62.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.318 -179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 729' ' ' MET . . . . . 0.433 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.9 mmt -86.41 -22.65 26.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.95 -52.13 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.626 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.2 -25.3 67.64 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.108 -173.341 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.493 ' N ' HD12 ' A' ' 731' ' ' LEU . 6.2 pt-20 -72.46 -36.67 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.969 0.414 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.477 ' CD ' HH21 ' A' ' 736' ' ' ARG . 8.8 tp10 -79.68 -43.64 22.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.411 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.523 ' HA ' HD11 ' A' ' 737' ' ' LEU . 94.0 t -60.88 -32.56 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 -34.51 78.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.575 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 55.7 mtm-85 -79.73 -37.49 35.44 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' ' 734' ' ' VAL . 83.4 mt -60.84 -43.18 98.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.424 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.92 -33.35 75.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.763 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -81.54 -18.97 43.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.726 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 45.7 mt -78.38 158.22 28.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.36 -178.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -101.86 -11.81 18.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.381 177.739 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.87 -46.51 25.79 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.714 2.276 . . . . 0.0 112.1 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -93.87 75.98 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.433 0.635 . . . . 0.0 110.015 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 1.6 mmt -113.9 128.87 56.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.709 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.1 p -104.44 173.19 6.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.768 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.86 -42.55 93.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.159 0.505 . . . . 0.0 110.082 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -64.57 -54.86 25.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.513 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.56 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.331 0.395 . . . . 0.0 111.319 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 70.0 mt -62.44 -44.95 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . 0.497 ' HZ1' ' HB3' ' A' ' 627' ' ' LYS . 6.3 ttpm? -69.18 -44.83 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.164 -175.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.57 -31.33 66.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.43 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.7 -38.39 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.753 0.311 . . . . 0.0 110.244 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.15 84.89 Favored Glycine 0 N--CA 1.454 -0.141 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.048 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.941 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.1 -29.62 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 64.9 m -61.5 -39.46 91.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.45 -42.75 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.28 -34.18 77.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.29 -5.75 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.308 0.575 . . . . 0.0 110.851 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.76 35.14 6.99 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.174 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -106.22 65.03 0.68 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.484 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 78.1 m-85 -69.62 -27.8 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.188 -170.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . 0.461 ' HZ3' HD21 ' A' ' 670' ' ' LEU . 54.0 mttm -60.54 -36.63 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.155 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.88 -38.41 25.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.61 -36.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.209 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 78.8 mt -52.77 -48.78 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' SER . . . . . 0.458 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 23.0 t -64.29 -43.38 94.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.472 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -59.82 -48.37 81.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -69.65 -29.96 67.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 -178.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.1 m -69.79 -28.6 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.393 . . . . 0.0 110.29 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 644' ' ' SER . 21.2 mm-40 -69.13 -36.54 77.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.803 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . . . . . . . . . 77.0 m -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.24 -37.97 75.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.084 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.03 -24.28 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.763 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 29.9 mt -92.65 -41.08 12.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.349 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -152.85 113.75 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.434 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -96.65 6.03 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.94 0.4 . . . . 0.0 110.398 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . 0.41 ' C ' HD13 ' A' ' 686' ' ' LEU . 47.8 mmtm -92.77 -0.34 57.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.727 -178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -94.56 112.5 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.182 0.515 . . . . 0.0 111.063 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.0 p -66.72 -28.78 68.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.633 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.31 79.26 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 50.3 mm -61.87 -48.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -60.51 -44.52 95.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.179 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 48.7 p -64.99 -31.85 73.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.94 0.4 . . . . 0.0 111.41 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -78.75 -36.39 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.708 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -65.2 -41.59 94.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.78 -45.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.249 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.64 -40.28 78.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.092 0.472 . . . . 0.0 110.644 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.73 -41.45 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.552 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -61.24 -40.9 95.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.214 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 90.8 mt -57.37 -44.23 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.484 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 14.2 mptt -70.02 -24.85 63.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.832 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . 0.461 HD21 ' HZ3' ' A' ' 640' ' ' LYS . 32.0 mt -96.55 12.94 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.254 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 62.87 28.67 16.47 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.073 0.463 . . . . 0.0 111.372 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.11 60.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.672 0.748 . . . . 0.0 109.659 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.29 -35.25 79.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.052 -173.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.62 -38.68 88.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -77.26 -35.37 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.476 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.64 93.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.406 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.1 ttmt -54.58 -47.64 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.627 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.94 -42.15 97.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.374 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 62.0 m -63.68 -40.33 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.7 t70 -65.62 -39.44 91.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.059 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.542 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 0.0 OUTLIER -63.78 -37.38 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.582 175.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.97 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.2 mt -70.74 -28.19 64.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.351 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 25.4 mt-30 -64.36 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.185 0.516 . . . . 0.0 109.876 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.3 mt -81.33 -44.71 17.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.35 104.04 7.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.71 92.57 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.395 0.617 . . . . 0.0 109.901 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.09 15.13 0.71 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.186 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -84.84 109.55 18.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 109.597 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.504 HG11 HG13 ' A' ' 717' ' ' VAL . 98.5 t -55.5 -42.28 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.702 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 67.6 mttm -62.01 -39.58 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.14 83.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -64.07 -47.82 78.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.208 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.663 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.6 t80 -61.36 -45.93 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.127 -176.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -65.41 -39.17 91.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.476 0.179 . . . . 0.0 110.855 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . 0.413 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 47.3 ttp180 -68.34 -39.67 81.84 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.481 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.685 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 78.3 mt -66.46 -38.28 87.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.44 70.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.532 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.427 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.8 m-70 -59.59 -38.2 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.958 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -57.38 -41.76 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.379 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.66 -22.65 74.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 56.3 mt -94.15 10.57 33.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.981 0.42 . . . . 0.0 110.246 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.09 34.17 23.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.149 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 92.3 m-20 -105.17 67.66 0.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.314 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.423 -168.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.574 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -66.07 -36.64 83.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.498 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.5 t -63.41 -42.41 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 45.9 mt -57.92 -34.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.442 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 708' ' ' GLN . 79.7 mt -58.69 -46.55 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.608 177.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 717' ' ' VAL . 68.3 m-20 -76.53 -32.65 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.574 ' O ' HG12 ' A' ' 718' ' ' ILE . 95.9 mt -67.61 -48.4 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.5 m-80 -60.82 -26.87 67.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.637 175.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . 0.588 ' O ' HD22 ' A' ' 720' ' ' LEU . 15.2 tptm -72.47 -44.89 61.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.476 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.504 HG13 HG11 ' A' ' 691' ' ' VAL . 72.4 t -57.05 -37.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.2 mm -62.65 -25.39 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.623 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 46.6 mt -73.43 -58.58 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.687 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.4 OUTLIER -58.61 -59.1 5.92 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 111.29 177.319 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -130.24 89.75 43.89 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.987 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.97 3.93 6.18 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.048 2.499 . . . . 0.0 113.395 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.3 m -99.24 -0.11 42.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.68 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.414 HG23 ' H ' ' A' ' 727' ' ' ALA . 18.0 mt -80.68 102.74 6.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' A' ' 729' ' ' MET . 48.5 mm -60.5 -38.01 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.638 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.0 mm-40 -57.05 -41.47 78.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.837 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.414 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -69.91 -32.24 70.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.722 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -71.21 -27.36 63.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.29 0.567 . . . . 0.0 110.079 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 729' ' ' MET . . . . . 0.434 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.6 mmt -85.81 -25.16 26.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.433 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 18.0 mm-40 -75.01 -49.23 20.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.797 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -67.57 -26.29 66.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.884 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.94 -37.31 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.731 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 31.2 tt0 -66.64 -50.62 62.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.475 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -61.94 -30.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.214 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 88.8 m -64.08 -38.68 91.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.258 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 58.2 mtm-85 -75.64 -29.67 59.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 109.699 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 734' ' ' VAL . 79.1 mt -69.64 -37.94 76.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.91 174.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.06 -31.87 70.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.395 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -28.43 68.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.547 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 70.5 mt -70.15 160.49 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -103.17 -29.55 11.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.023 -173.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.459 179.463 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.56 -18.19 17.75 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.604 2.203 . . . . 0.0 112.899 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -109.49 -46.71 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 80.1 mtp -67.93 133.59 49.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.077 0.465 . . . . 0.0 109.753 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 52.6 p -87.89 173.78 8.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.697 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.502 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 89.0 t80 -55.59 -42.94 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -64.67 -43.11 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.125 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -63.0 -45.88 90.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.512 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.69 -44.77 95.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.471 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.68 -48.67 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.513 . . . . 0.0 110.694 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.41 -21.71 48.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.328 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.03 -32.0 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.0 -35.98 92.53 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.5 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.87 -41.14 86.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 110.156 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.15 -38.18 89.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.717 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.18 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.427 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -40.44 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.679 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -65.31 -33.47 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.659 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.45 -0.76 47.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.741 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp 67.31 28.98 7.77 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.67 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 641' ' ' ASP . 47.4 t30 -104.12 76.9 1.38 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.058 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.482 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 49.4 m-85 -77.89 -34.62 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.297 -170.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.41 -35.05 78.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.77 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . 0.422 ' HB2' ' ND2' ' A' ' 638' ' ' ASN . 1.1 m-20 -89.25 -25.25 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.665 0.269 . . . . 0.0 110.672 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.92 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.224 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 90.8 mt -54.16 -45.7 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.539 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 14.9 m -63.87 -40.0 95.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.801 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.5 -48.25 82.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.559 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -70.29 -26.6 63.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.209 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 19.2 t -68.5 -33.87 74.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.5 mm-40 -64.1 -34.89 79.07 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.976 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 61.1 m -66.45 -38.57 87.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.723 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.73 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.273 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -75.69 -31.73 59.84 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.988 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 50.3 mt -98.15 -53.07 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.094 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.474 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 8.8 t30 -140.58 110.35 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 111.633 -171.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -102.61 20.22 17.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.864 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -95.72 -11.31 27.24 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.268 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . 0.41 ' CG ' HG12 ' A' ' 659' ' ' ILE . 9.3 tp10 -85.68 98.24 10.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.657 -177.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.308 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.4 71.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.428 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.41 HG12 ' CG ' ' A' ' 656' ' ' GLU . 48.0 mm -65.47 -45.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.19 0.519 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 97.3 m-85 -64.95 -44.68 88.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.854 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -65.39 -33.36 75.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -72.65 -39.37 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.863 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -64.49 -46.67 81.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.616 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.704 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.39 -46.98 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.788 176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 75.3 m -65.68 -45.02 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -56.26 -33.62 65.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.655 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.2 mt -58.8 -33.64 70.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 669' ' ' LYS . 0.4 OUTLIER -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.125 -177.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.58 7.74 25.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.095 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 22.5 t 64.81 23.97 12.75 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.375 0.607 . . . . 0.0 110.876 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -100.89 55.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.526 0.679 . . . . 0.0 109.794 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -62.68 -31.33 72.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.526 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.93 -38.95 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.837 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.73 -33.28 25.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.675 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.69 82.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.958 0.408 . . . . 0.0 110.736 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -56.22 -44.8 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.725 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.14 -39.72 63.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.297 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -61.58 -44.64 96.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.7 m -60.54 -34.61 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.565 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 27.4 t70 -67.03 -48.84 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.524 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.8 mm100 -59.69 -34.16 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.42 96.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.629 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.74 -26.14 61.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 80.6 mm-40 -65.42 -37.25 86.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.236 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 40.3 mt -80.31 -42.63 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.343 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.65 103.79 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.315 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.46 89.78 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.374 0.607 . . . . 0.0 110.214 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 136.59 32.57 0.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.861 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.513 HG12 HG13 ' A' ' 717' ' ' VAL . 61.5 t -58.64 -37.5 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.556 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.15 -36.64 78.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.7 -42.92 70.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.297 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -65.74 -49.77 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.501 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 85.7 t80 -60.1 -41.01 91.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.309 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.39 -22.88 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.593 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . 0.447 ' HD2' ' OD2' ' A' ' 713' ' ' ASP . 23.2 ttm180 -70.15 -39.33 75.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 170.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.34 91.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.4 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -65.08 -37.03 86.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.04 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -61.79 -38.99 90.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.599 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -57.18 -41.0 78.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.431 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.91 -24.76 76.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.331 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 53.7 mt -94.09 10.35 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.18 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.28 28.13 17.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.325 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -96.35 70.42 2.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 737' ' ' LEU . 27.0 m-85 -77.32 -28.46 53.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.271 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.582 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -67.3 -39.4 85.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.515 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -68.94 -47.09 66.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.668 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.7 t -59.35 -42.3 91.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.475 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.59 -42.79 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.994 0.426 . . . . 0.0 110.302 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.456 ' O ' HG22 ' A' ' 717' ' ' VAL . 25.6 m-20 -77.34 -33.62 55.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 731' ' ' LEU . 98.9 mt -68.31 -47.04 68.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.536 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 42.2 m-80 -62.16 -29.83 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.656 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -66.77 -43.94 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.513 HG13 HG12 ' A' ' 691' ' ' VAL . 80.5 t -58.23 -36.15 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.379 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.2 mm -65.4 -29.34 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 110.662 178.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.6 mt -76.73 -39.85 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.293 0.568 . . . . 0.0 110.504 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 80.1 mt -76.86 -44.82 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.687 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -145.77 94.05 5.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.013 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.25 3.92 5.32 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.981 2.454 . . . . 0.0 113.309 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 35.7 m -98.73 -1.54 40.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.94 0.4 . . . . 0.0 110.536 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.433 HG22 ' H ' ' A' ' 727' ' ' ALA . 17.4 mt -78.87 99.67 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.502 . . . . 0.0 110.082 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.71 -35.0 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.457 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.79 -42.84 76.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.822 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.433 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -71.3 -33.2 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.4 -30.36 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.5 mmt -86.03 -25.76 25.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.152 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.13 -44.66 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.463 ' HA ' HD12 ' A' ' 714' ' ' LEU . 0.4 OUTLIER -68.07 -26.7 65.98 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.765 -176.504 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.4 pt-20 -73.31 -37.9 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 6.9 tp10 -66.05 -51.19 60.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.826 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.479 ' HA ' HD11 ' A' ' 737' ' ' LEU . 89.3 t -62.39 -33.63 60.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.522 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 96.2 m -63.47 -37.22 86.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.627 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 31.9 mtm180 -77.82 -38.77 45.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.479 HD11 ' HA ' ' A' ' 734' ' ' VAL . 91.4 mt -58.36 -42.52 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 174.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.06 -30.84 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.834 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.15 -2.19 57.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.467 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 90.0 mt -87.57 -169.67 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . 0.506 ' HB2' ' HZ3' ' A' ' 741' ' ' LYS . 0.6 OUTLIER -82.07 -64.73 1.12 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.046 -179.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.712 -175.553 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.64 -36.08 88.59 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.82 2.347 . . . . 0.0 111.774 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 621' ' ' MET . 48.4 t-80 -115.51 112.96 23.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 620' ' ' HIS . 81.1 mtp 71.81 113.01 0.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.028 0.83 . . . . 0.0 111.038 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 45.0 p -88.93 -178.05 5.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.823 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.469 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 73.6 t80 -55.82 -44.63 78.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.24 0.543 . . . . 0.0 110.056 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 59.9 mttp -71.57 -41.27 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.784 -176.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.8 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.41 . . . . 0.0 110.629 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.17 -41.27 92.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.701 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -64.52 -49.32 71.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.42 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 46.6 mt-10 -60.0 -52.61 64.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.419 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.41 -29.87 68.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.656 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . 0.407 ' O ' HG21 ' A' ' 634' ' ' VAL . . . -62.45 -41.92 99.74 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.47 -40.14 85.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.054 0.454 . . . . 0.0 110.128 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.3 mm-40 -62.53 -39.14 92.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.98 -41.48 95.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.303 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 630' ' ' GLY . 92.3 t -59.9 -47.47 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.756 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -67.32 -31.86 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.073 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.07 3.81 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.298 0.571 . . . . 0.0 110.496 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm 62.28 29.34 17.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.302 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -108.65 73.03 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.65 0.738 . . . . 0.0 109.073 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.52 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -74.63 -23.09 58.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.516 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -59.31 -45.92 89.99 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.773 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -75.59 -36.22 60.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.43 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.658 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -52.18 -50.91 60.92 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 648' ' ' GLU . 12.9 m -64.02 -46.05 86.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.879 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.2 -46.49 90.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.519 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -67.71 -31.96 72.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.403 . . . . 0.0 110.79 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 53.5 m -71.38 -23.61 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.11 0.481 . . . . 0.0 110.437 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 644' ' ' SER . 45.1 mt-10 -76.45 -28.41 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.063 173.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 84.1 m -65.61 -45.24 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.163 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.76 -28.46 68.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.313 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 647' ' ' SER . 65.3 mttp -61.86 -26.55 68.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 110.605 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.29 -46.74 12.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.778 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 34.2 t30 -142.16 122.91 14.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.614 -178.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -105.21 6.48 33.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -100.42 16.43 24.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.999 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -105.9 98.35 8.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.056 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . 0.405 ' HB2' ' HB1' ' A' ' 683' ' ' ALA . 29.8 p -59.89 -25.99 65.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.703 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.89 -28.79 70.29 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.568 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.0 mm -71.18 -44.09 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 110.153 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.5 m-85 -63.29 -44.64 94.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.17 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.5 p -66.07 -32.66 74.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -74.59 -38.59 62.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.074 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -64.09 -42.64 96.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.679 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.6 -45.7 81.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.42 -42.16 77.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.9 m -68.03 -46.82 70.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.669 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . 0.409 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 17.8 m-85 -56.36 -38.23 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.458 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 93.6 mt -56.4 -36.12 68.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.9 -37.4 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.74 14.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.593 0.235 . . . . 0.0 111.155 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 9.8 t 66.17 21.04 11.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.066 174.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . 0.409 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 76.1 mt-30 -100.79 65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.401 0.62 . . . . 0.0 109.941 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 65.2 m-85 -69.42 -32.18 70.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.954 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.53 -42.58 78.26 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . 0.559 ' HA ' ' NE2' ' A' ' 678' ' ' GLN . 11.6 mm-40 -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.58 -43.38 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.194 178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.595 ' HZ2' ' CG ' ' A' ' 701' ' ' HIS . 11.7 ttmm -57.74 -42.39 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . 0.559 ' NE2' ' HA ' ' A' ' 675' ' ' GLU . 37.0 mt-30 -59.28 -46.47 88.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.995 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.6 OUTLIER -63.2 -38.38 90.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 62.1 m -57.37 -49.25 76.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -65.17 -33.47 76.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.563 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.57 -27.39 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.211 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 657' ' ' CYS . . . -80.88 -26.93 36.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.286 0.565 . . . . 0.0 109.763 -176.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 694' ' ' PHE . 4.5 mm? -73.34 -31.5 64.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.558 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.62 -34.93 78.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.136 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.0 mt -84.59 -44.54 13.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.424 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.76 104.34 7.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.87 90.57 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.182 0.515 . . . . 0.0 110.158 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.46 21.57 1.03 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.09 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.59 105.5 11.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 110.27 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.48 HG12 HG11 ' A' ' 717' ' ' VAL . 87.3 t -58.25 -38.17 67.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.229 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 76.0 mmtt -56.65 -35.42 68.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.441 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -77.59 -38.13 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.456 -176.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 684' ' ' LEU . 60.7 m-85 -66.44 -40.57 89.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 110.035 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.535 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 60.1 t80 -60.94 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.5 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.8 mmt180 -66.17 -46.05 78.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . 0.461 ' HD2' ' OD1' ' A' ' 713' ' ' ASP . 19.2 ttm180 -58.57 -41.64 86.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.75 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.85 75.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 80.0 mt -62.42 -37.55 86.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.229 0.537 . . . . 0.0 110.209 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -68.7 -27.43 65.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.439 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.595 ' CG ' ' HZ2' ' A' ' 677' ' ' LYS . 45.1 m-70 -80.75 -39.84 26.25 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.123 -0.36 . . . . 0.0 110.128 173.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.832 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.55 -20.81 74.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.947 -0.645 . . . . 0.0 112.851 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . 0.478 HD13 ' HZ3' ' A' ' 677' ' ' LYS . 60.3 mt -94.93 6.6 48.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 64.33 28.35 13.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.021 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -98.7 64.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -73.12 -30.83 63.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.491 -171.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -65.07 -32.18 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.627 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -81.83 -42.3 19.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.789 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.3 t -61.3 -40.58 94.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.233 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.3 -32.69 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.448 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.33 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.974 0.416 . . . . 0.0 110.428 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.461 ' OD1' ' HD2' ' A' ' 697' ' ' ARG . 38.4 m-20 -79.38 -36.11 39.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.514 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.7 mt -64.36 -46.57 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.246 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.632 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 19.0 m-80 -60.13 -38.72 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.89 -42.86 90.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.289 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.48 HG11 HG12 ' A' ' 691' ' ' VAL . 74.2 t -59.57 -41.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.636 175.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -64.0 -33.26 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 110.746 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.8 mt -73.96 -39.85 63.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.03 -47.12 21.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.712 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -142.92 88.72 8.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.005 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.6 5.54 4.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.844 2.363 . . . . 0.0 113.299 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 22.3 m -96.93 -0.06 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.222 0.534 . . . . 0.0 110.206 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . . . . . . . . . 19.7 mt -82.27 106.25 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.398 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.25 -33.91 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.558 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -53.57 -49.36 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.406 ' O ' HD11 ' A' ' 731' ' ' LEU . . . -68.7 -29.41 67.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.03 -178.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -72.48 -30.05 64.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.34 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.48 -28.62 23.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -77.19 -47.2 20.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.886 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -25.46 66.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.863 -174.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.583 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.0 pt-20 -77.09 -29.85 55.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 109.71 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.18 -46.22 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.094 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.0 t -59.94 -34.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.224 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 52.9 m -66.26 -35.31 80.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.525 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 50.9 mtm180 -72.05 -41.15 67.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 734' ' ' VAL . 49.3 mt -59.32 -40.3 85.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.752 175.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.4 -35.08 78.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.086 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.9 -11.01 59.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.342 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 89.0 mt -76.17 171.21 14.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.773 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -74.66 -50.0 19.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.927 0.394 . . . . 0.0 110.196 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.325 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.61 137.92 28.47 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.666 2.244 . . . . 0.0 112.52 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -98.54 130.47 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.069 0.461 . . . . 0.0 110.204 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 90.3 mmm -109.06 135.1 50.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.57 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 40.3 p -113.68 171.4 7.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.691 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 84.2 t80 -58.07 -46.03 86.13 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 30.1 mtpp -61.31 -46.83 88.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.14 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' ALA . . . . . 0.493 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -59.09 -49.32 78.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.13 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.68 -41.38 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.111 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -58.91 -41.09 86.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 38.8 mt-10 -73.34 -48.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.694 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 11.1 pt-20 -70.54 -26.59 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.841 -177.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.6 -37.12 88.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.72 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.74 -34.99 79.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.108 0.48 . . . . 0.0 110.295 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.307 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.38 -40.44 90.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.784 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.21 -42.49 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.002 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -73.89 -24.43 59.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.44 . . . . 0.0 110.712 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.98 -7.07 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.028 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 67.27 25.55 8.8 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.391 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -107.88 69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.113 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' TYR . . . . . 0.474 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 91.2 m-85 -70.64 -30.83 67.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.972 -172.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -66.39 -25.87 66.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.66 -36.24 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.893 0.377 . . . . 0.0 110.127 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.58 70.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.296 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 92.8 mt -54.02 -50.89 65.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.417 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 7.1 m -58.99 -45.37 90.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.45 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.96 -55.92 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' TYR . . . . . 0.434 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 24.4 m-85 -67.63 -32.92 73.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.71 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -67.08 -33.13 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.813 0.339 . . . . 0.0 110.681 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 644' ' ' SER . 12.3 mm-40 -72.63 -25.19 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' CYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 82.0 m -67.28 -36.8 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.99 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.99 -11.72 61.08 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 121.466 0.65 . . . . 0.0 111.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -76.39 -26.13 55.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.343 0.592 . . . . 0.0 109.755 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.67 -51.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.167 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' ASN . . . . . 0.474 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 41.0 t30 -139.25 128.77 24.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -174.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -118.88 16.89 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.082 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.16 10.75 37.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 0.0 110.365 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.79 100.77 10.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.849 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 29.1 p -62.02 -26.11 68.05 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.24 88.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.97 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' ILE . . . . . 0.672 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 49.8 mm -59.0 -34.96 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -74.56 -43.27 56.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.908 0.385 . . . . 0.0 110.913 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 14.9 p -67.54 -38.84 84.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -82.02 -24.49 35.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.66 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' ARG . . . . . 0.672 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -69.0 -41.33 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ALA . . . . . 0.527 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.71 -43.67 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.912 176.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.84 -40.85 81.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.04 0.447 . . . . 0.0 110.496 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 68.6 m -67.24 -45.4 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.37 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -58.28 -37.18 74.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.321 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -60.42 -31.61 70.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -79.46 -32.06 42.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.191 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.78 16.74 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.65 0.262 . . . . 0.0 110.812 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 48.6 t 57.52 39.81 27.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.382 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -110.4 67.53 0.65 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.338 0.589 . . . . 0.0 109.613 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -65.94 -39.75 90.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.612 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.96 -37.21 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.311 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -72.35 -51.07 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.279 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.77 -35.6 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.005 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . 0.485 ' HE3' ' CE1' ' A' ' 701' ' ' HIS . 26.4 tttt -68.4 -39.64 81.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.707 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.03 -33.14 61.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.699 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.26 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.729 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 74.3 m -63.33 -31.64 72.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 11.5 t70 -65.15 -44.64 87.94 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' GLN . . . . . 0.427 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.8 mm100 -59.4 -39.76 84.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.438 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.29 95.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.959 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.41 -32.49 71.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -59.33 -35.13 73.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 28.2 mt -88.69 -40.99 12.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.752 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.79 103.18 7.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.49 95.31 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.374 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 125.85 19.24 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.06 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -82.84 105.18 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . 0.468 HG13 HG12 ' A' ' 717' ' ' VAL . 97.8 t -60.32 -38.21 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.157 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.0 -32.04 70.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.5 54.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.762 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -64.85 -50.14 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' TYR . . . . . 0.52 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 79.9 t80 -59.15 -47.26 85.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.639 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.8 -23.22 49.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.428 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' ARG . . . . . 0.408 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 34.5 ttp180 -72.57 -37.65 68.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.66 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.513 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 71.1 mt -65.2 -39.05 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.111 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.36 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.705 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' HIS . . . . . 0.485 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 36.2 m-70 -55.57 -43.94 76.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -56.13 -44.74 79.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.687 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.74 75.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.336 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 69.5 mt -93.75 7.75 43.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.462 . . . . 0.0 110.038 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 62.84 31.31 16.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.907 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -100.0 72.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -76.14 -37.28 58.2 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.362 -169.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 708' ' ' GLN . . . . . 0.574 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -65.43 -36.9 85.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.228 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.36 -43.0 64.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.804 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.2 t -61.49 -40.77 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.07 -32.86 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.625 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 708' ' ' GLN . 68.4 mt -63.43 -42.25 95.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.89 0.376 . . . . 0.0 110.197 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.7 m-20 -73.36 -39.44 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . 0.527 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.1 mt -65.05 -47.73 76.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . 0.613 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 14.1 m-80 -59.37 -36.73 76.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.683 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -62.8 -43.21 99.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.667 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' VAL . . . . . 0.468 HG12 HG13 ' A' ' 691' ' ' VAL . 83.7 t -59.97 -37.71 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.254 176.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' ' 714' ' ' LEU . 48.2 mm -64.28 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.657 177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 61.8 mt -78.84 -46.41 18.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.114 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.08 -44.23 60.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.87 88.64 8.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.84 6.87 3.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.859 2.373 . . . . 0.0 113.035 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.2 m -99.14 -2.0 38.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' ILE . . . . . 0.443 HG23 ' H ' ' A' ' 727' ' ' ALA . 27.0 mt -80.63 103.69 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 47.4 mm -61.84 -35.48 68.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.421 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.55 -46.86 70.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.699 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' ALA . . . . . 0.443 ' H ' HG23 ' A' ' 724' ' ' ILE . . . -68.24 -32.79 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -67.12 -31.5 71.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.258 0.551 . . . . 0.0 110.192 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 729' ' ' MET . . . . . 0.456 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 23.8 mmt -86.39 -23.43 26.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.051 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.95 -44.77 16.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.4 -29.64 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.986 -0.685 . . . . 0.0 110.552 -177.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -71.02 -27.93 64.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.017 0.437 . . . . 0.0 109.826 178.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.62 -51.85 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.406 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 734' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.9 t -62.49 -32.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 56.4 m -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 110.387 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -80.98 -31.85 34.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 737' ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.1 mt -64.72 -45.93 84.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.149 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.03 -28.55 69.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.369 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -87.08 -3.78 59.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.031 0.444 . . . . 0.0 111.373 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' LEU . . . . . 0.528 HD13 ' H ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -103.8 150.77 23.8 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.508 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' LYS . . . . . 0.528 ' H ' HD13 ' A' ' 740' ' ' LEU . 14.5 tppt? -70.35 -8.43 50.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -169.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.49 179.061 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.8 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.195 0.521 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -68.78 -41.42 78.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.709 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.11 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.55 -38.73 91.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.21 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.245 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.29 -50.55 71.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.51 -34.32 77.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.919 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -60.82 -42.7 99.63 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.486 173.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.25 -35.78 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 110.554 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 45.7 m -60.09 -36.49 77.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.767 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 630' ' ' GLY . 94.5 t -63.71 -45.07 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -71.75 -27.8 63.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 110.828 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.98 -6.81 58.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.287 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 66.97 23.98 9.7 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.16 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -107.2 70.94 0.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.415 ' HB3' ' HA ' ' A' ' 666' ' ' CYS . 40.3 m-85 -73.1 -26.43 61.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.181 -169.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -65.77 -30.01 70.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.85 -34.09 30.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 642' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -58.05 -38.95 77.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.0 mt -52.52 -48.46 66.02 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.517 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.3 m -59.42 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.989 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -58.11 -51.3 70.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.3 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 53.1 m -71.14 -28.56 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.249 -0.282 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.23 -31.09 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.038 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.9 m -62.44 -36.12 81.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.11 174.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 89.4 mt -72.62 -10.84 60.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.396 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -82.24 -27.61 32.36 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.201 0.524 . . . . 0.0 109.816 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.7 mt -92.46 -50.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.143 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -149.72 124.29 9.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -111.21 18.82 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.318 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -101.68 11.82 38.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.058 0.456 . . . . 0.0 110.734 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' GLU . . . . . 0.504 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.0 tp10 -104.25 98.48 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.492 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.38 -21.23 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.895 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.77 79.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.898 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.504 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.5 mm -66.05 -48.57 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.89 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 72.6 m-85 -64.06 -47.22 81.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.653 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.3 p -61.83 -38.62 88.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.695 0.283 . . . . 0.0 111.484 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -80.13 -29.97 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.55 0.214 . . . . 0.0 111.082 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.6 ttp180 -68.56 -39.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.4 -40.92 92.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.65 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 669' ' ' LYS . 54.3 tp -58.83 -43.68 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 639' ' ' TYR . 63.1 m -62.3 -38.53 89.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.623 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 14.8 m-85 -63.98 -42.85 97.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.0 mt -57.94 -35.56 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 665' ' ' LEU . 31.2 mmmt -76.75 -19.59 57.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.66 12.67 35.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.347 . . . . 0.0 110.412 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.4 m 63.69 21.05 12.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.651 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 672' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 53.8 mt-30 -94.01 72.89 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 109.701 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 673' ' ' PHE . . . . . 0.448 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 45.2 m-85 -71.57 -39.66 70.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.216 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.65 -37.84 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.938 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.11 -47.41 65.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.211 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.642 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.499 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -56.66 -44.66 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -71.19 -40.07 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.999 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -62.17 -40.42 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.692 176.769 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.4 -36.44 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.813 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.2 t70 -66.76 -42.42 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.112 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 84.4 mm-40 -59.12 -35.37 73.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.75 82.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.894 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 52.3 mt -70.72 -29.21 65.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 80.0 mt-30 -61.74 -30.78 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.403 . . . . 0.0 110.336 174.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 41.9 mt -86.92 -45.9 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.287 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.71 103.45 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.954 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.22 90.93 4.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 139.41 12.16 0.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.773 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.4 106.28 10.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 717' ' ' VAL . 63.8 t -59.7 -36.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.432 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.62 -37.91 79.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.56 71.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.986 -177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -67.3 -50.85 58.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.053 0.454 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.587 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 88.0 t80 -59.1 -45.87 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.261 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -77.26 -22.95 51.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -72.17 -39.83 68.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.512 175.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 68.4 mt -63.53 -43.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.826 175.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 700' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -61.25 -50.19 74.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.903 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.499 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 42.0 m-70 -59.64 -42.23 92.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.94 -43.34 86.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.389 . . . . 0.0 110.262 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.83 74.36 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.517 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.12 9.24 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.047 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 66.21 23.11 10.92 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.212 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.58 78.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -79.68 -35.78 38.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.335 -170.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 708' ' ' GLN . . . . . 0.471 ' O ' HG13 ' A' ' 712' ' ' ILE . 57.8 tp60 -65.08 -42.06 94.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.73 -45.42 89.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.173 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 32.0 t -61.94 -41.47 98.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.078 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.94 -33.47 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.291 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 712' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 708' ' ' GLN . 77.9 mt -62.67 -39.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 717' ' ' VAL . 44.1 m-20 -78.85 -35.49 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 89.2 mt -66.59 -49.15 67.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.677 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 31.8 m-80 -57.89 -38.45 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.712 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -61.3 -40.67 95.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.493 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 691' ' ' VAL . 72.8 t -61.63 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.0 mm -63.82 -31.17 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 44.2 mt -74.89 -39.89 61.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 110.551 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.66 -47.96 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.222 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -141.93 86.44 10.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.637 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.15 10.04 2.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.757 2.304 . . . . 0.0 112.307 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 41.2 t -94.41 -6.53 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.723 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.9 mt -82.19 105.02 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.341 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.35 -36.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.602 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 10.0 mm-40 -56.95 -41.36 78.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.669 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.39 -32.31 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -67.85 -25.57 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.316 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.2 mmt -85.64 -24.0 27.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.394 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 13.1 mm-40 -79.73 -49.13 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -175.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -68.07 -21.83 64.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.916 -175.245 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 7.6 pt-20 -77.64 -34.51 53.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -75.1 -50.03 17.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.897 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.519 ' HA ' HD12 ' A' ' 737' ' ' LEU . 98.6 t -62.19 -31.28 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.376 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 63.5 m -66.47 -32.66 74.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.848 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 20.9 mtm180 -74.11 -38.32 63.87 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 734' ' ' VAL . 73.2 mt -61.3 -43.63 98.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.258 174.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.04 -31.52 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.979 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.113 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.3 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.071 0.462 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.79 -40.44 95.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.386 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -76.07 -40.93 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.36 -35.18 80.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.303 . . . . 0.0 110.474 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.94 -51.59 68.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.53 -28.72 67.24 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -57.74 -55.97 27.92 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -57.88 -41.25 94.07 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.976 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.855 0.36 . . . . 0.0 110.768 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.07 -42.34 97.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.907 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -64.29 -36.5 84.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.427 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 630' ' ' GLY . 82.5 t -62.77 -45.43 98.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.079 0.466 . . . . 0.0 110.709 177.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -77.87 -11.87 59.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.811 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.96 -7.5 51.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.122 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 67.46 27.26 8.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.767 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -111.8 68.97 0.68 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.452 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -71.25 -28.94 64.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.7 -169.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -61.36 -37.32 82.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 0.0 110.571 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 641' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 19.6 t70 -79.15 -32.86 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.0 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.794 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.1 mt -56.44 -43.27 79.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 174.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 20.2 m -62.93 -32.66 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.151 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 32.4 mmtp -85.88 -45.92 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.223 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.76 -36.63 84.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -66.22 -30.89 71.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 651' ' ' LYS . 63.0 mm-40 -74.07 -28.36 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.9 m -61.05 -48.45 81.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.057 0.456 . . . . 0.0 110.202 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 653' ' ' ASN . 90.6 mt -60.86 -32.82 72.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.308 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 6.5 mtpm? -62.88 -25.03 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.31 0.576 . . . . 0.0 110.441 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.4 mt -89.35 -52.61 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.895 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 650' ' ' LEU . 41.3 t30 -135.44 119.15 17.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.615 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.07 4.13 41.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.568 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.44 14.22 30.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.429 -177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 656' ' ' GLU . . . . . 0.434 ' HG3' HG12 ' A' ' 659' ' ' ILE . 8.9 tp10 -105.43 102.59 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.674 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 16.9 p -63.64 -27.91 69.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.877 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.07 71.65 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 120.772 0.32 . . . . 0.0 111.374 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.434 HG12 ' HG3' ' A' ' 656' ' ' GLU . 49.8 mm -69.2 -44.71 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.387 . . . . 0.0 110.09 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 69.1 m-85 -63.39 -45.6 90.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.424 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 2.0 p -61.99 -34.14 75.62 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 111.099 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -75.25 -40.36 58.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -62.49 -41.85 99.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -54.99 -46.67 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.81 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.04 -40.93 91.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.5 m -65.19 -48.9 71.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.642 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.42 -36.16 68.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.9 mt -60.52 -31.07 70.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 74.9 mmtt -84.59 -23.33 29.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.136 -177.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.61 6.68 47.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 63.0 m 64.89 24.66 12.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.707 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -96.54 62.86 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.27 -36.11 83.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.109 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.36 -38.5 87.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.397 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.69 -39.43 67.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.62 96.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.505 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 28.9 ttmt -53.95 -43.56 69.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.584 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -68.04 -45.42 73.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.236 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -60.27 -42.31 95.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.186 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.8 m -60.8 -36.76 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.848 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 30.0 t70 -70.97 -41.84 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 82.8 mm-40 -57.25 -38.17 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.328 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.52 87.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.843 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 65.7 mt -71.48 -31.66 67.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.373 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.0 mt-30 -62.47 -35.11 78.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.0 110.387 176.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.4 mt -85.51 -39.5 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -123.43 104.5 9.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 111.331 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.51 93.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.314 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 121.9 23.74 2.43 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.959 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.83 100.46 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.627 HG13 HG13 ' A' ' 717' ' ' VAL . 98.8 t -54.16 -40.04 45.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.396 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -59.37 -35.83 74.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.871 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.8 67.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.15 -47.84 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.079 0.466 . . . . 0.0 110.347 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.574 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.9 t80 -60.58 -41.62 95.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.063 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -68.74 -35.99 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -67.19 -39.58 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 110.103 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 698' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 176.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.3 mt -65.96 -36.33 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 110.247 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.05 53.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.505 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 55.7 m-70 -60.44 -37.27 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.44 -44.93 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.72 -23.51 77.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.757 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -91.95 8.17 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.674 0.273 . . . . 0.0 110.789 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 61.64 29.25 18.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.101 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -100.95 63.18 1.01 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -72.0 -28.37 63.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.852 -171.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -65.99 -33.28 75.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 0.0 109.603 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -79.6 -42.28 25.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.504 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -61.61 -40.93 96.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.178 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.81 -31.24 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.35 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.77 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 0.0 110.182 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 717' ' ' VAL . 35.7 m-20 -77.77 -34.67 52.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.686 -176.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.602 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.6 mt -66.03 -47.68 73.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.335 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.637 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.7 m-80 -60.83 -36.76 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.481 174.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -60.68 -44.89 95.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.627 HG13 HG13 ' A' ' 691' ' ' VAL . 70.0 t -60.45 -36.75 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.915 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.602 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.5 mm -66.27 -30.89 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.519 . . . . 0.0 110.616 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 54.8 mt -75.41 -32.31 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 0.0 110.745 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.16 -49.47 8.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.343 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 721' ' ' ASP . . . . . 0.429 ' OD2' HG21 ' A' ' 691' ' ' VAL . 3.4 m-20 -137.5 86.71 18.71 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.693 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.44 5.82 3.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.741 2.294 . . . . 0.0 112.43 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.8 p -96.07 5.81 50.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.159 0.504 . . . . 0.0 110.829 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.518 HG22 ' H ' ' A' ' 727' ' ' ALA . 20.9 mt -93.46 100.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.95 -38.25 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -52.69 -46.2 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.518 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -74.09 -27.58 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 728' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 27.2 mtpp -78.14 -21.27 50.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.279 0.561 . . . . 0.0 110.194 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 729' ' ' MET . . . . . 0.612 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.4 mmt -87.06 -35.58 18.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.362 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.89 -51.47 58.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.898 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.906 -174.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -77.29 -28.41 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 0.0 109.994 -179.571 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.454 ' HA ' ' NH2' ' A' ' 736' ' ' ARG . 36.1 tt0 -78.15 -47.11 18.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.85 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 737' ' ' LEU . 78.3 t -60.53 -32.67 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.374 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.8 m -62.59 -38.72 91.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.703 0.287 . . . . 0.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.454 ' NH2' ' HA ' ' A' ' 733' ' ' GLU . 44.4 mtm105 -75.66 -38.1 59.07 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 734' ' ' VAL . 84.0 mt -59.32 -42.49 91.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.475 174.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.15 -27.92 68.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.876 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.672 -178.871 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.491 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 88.9 t80 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.964 0.412 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 27.4 mtpp -61.38 -51.15 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.652 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.44 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.299 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.34 -39.26 93.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.05 -50.96 62.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.377 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 72.3 mt-10 -59.01 -58.38 8.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.56 -27.4 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.31 . . . . 0.0 110.752 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -61.26 -46.76 93.8 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.287 173.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -63.6 -36.55 84.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.788 0.328 . . . . 0.0 110.456 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -47.87 83.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.41 -40.15 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.0 t -58.55 -48.9 84.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.341 . . . . 0.0 110.605 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 636' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 637' ' ' LYS . 32.4 t70 -78.59 -9.03 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 637' ' ' LYS . . . . . 0.463 ' HB2' ' NZ ' ' A' ' 637' ' ' LYS . 8.5 mtmp? 70.9 30.81 2.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.292 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -107.96 67.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.21 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 81.4 m-85 -70.25 -27.18 64.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.72 -173.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.762 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.96 -32.37 51.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.182 0.515 . . . . 0.0 110.22 -178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.95 82.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.509 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.5 mt -53.25 -45.75 68.91 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.648 175.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 10.4 m -57.56 -53.88 53.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.592 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.92 -48.6 72.9 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.863 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.3 m-85 -69.05 -33.99 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.667 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 45.5 m -67.01 -34.04 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 0.0 110.238 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.92 -31.46 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.491 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 71.9 m -60.42 -46.52 89.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.29 -35.58 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.069 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.41 -21.14 66.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.22 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 26.4 mt -99.6 -39.92 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 39.9 t30 -149.21 117.67 6.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -97.74 -0.41 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.493 ' C ' HD13 ' A' ' 686' ' ' LEU . 20.6 tptm -88.43 -11.4 46.12 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 121.182 0.515 . . . . 0.0 111.407 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 656' ' ' GLU . . . . . 0.414 ' CG ' HG12 ' A' ' 659' ' ' ILE . 5.5 tp10 -79.95 94.6 5.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.659 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 30.6 p -60.73 -26.62 67.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.691 0.281 . . . . 0.0 111.371 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.28 65.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.739 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.414 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.4 mm -79.8 -44.48 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.03 0.443 . . . . 0.0 109.832 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 683' ' ' ALA . 96.0 m-85 -62.83 -42.98 99.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.001 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 19.0 p -61.56 -38.54 87.85 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.282 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -76.39 -35.26 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -61.37 -45.33 94.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.52 -48.77 74.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.986 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 57.0 tp -56.75 -43.25 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 177.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 81.8 m -65.26 -46.18 81.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.747 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.28 -36.04 74.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.108 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.3 mt -60.16 -31.02 69.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.988 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.98 -30.03 35.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.278 -176.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.67 17.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.5 m 59.49 35.32 22.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.516 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -109.06 62.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.314 0.578 . . . . 0.0 109.506 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -64.65 -36.38 84.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.719 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.17 -37.4 82.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.365 0.603 . . . . 0.0 110.097 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.0 -42.46 60.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.286 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.87 94.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.467 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.9 ttmt -50.2 -51.34 44.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.676 -175.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -39.28 94.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.24 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 60.4 m -62.21 -42.3 99.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.1 t70 -64.56 -43.57 93.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.562 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 22.2 mm-40 -58.38 -38.48 77.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.739 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 683' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 660' ' ' TYR . . . -64.09 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 176.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.49 -29.23 64.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.245 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 17.9 mm-40 -64.2 -37.62 88.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.887 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.0 mt -82.71 -40.99 19.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.705 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 104.31 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.473 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.3 89.19 5.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.14 21.35 1.08 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.994 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -79.46 103.39 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.67 HG13 HG13 ' A' ' 717' ' ' VAL . 84.5 t -55.75 -41.04 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.476 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 30.9 mmtp -65.42 -34.66 78.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 693' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.98 -46.45 81.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.22 0.534 . . . . 0.0 110.058 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 40.6 t80 -62.87 -40.96 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -176.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -66.96 -40.28 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.599 0.237 . . . . 0.0 110.741 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 39.4 ttp180 -67.76 -40.51 84.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.704 0.288 . . . . 0.0 110.415 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -57.59 -44.38 85.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.037 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 89.0 mt -63.99 -39.15 93.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.32 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.789 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.467 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 68.9 m-70 -58.31 -41.56 84.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -56.06 -43.88 78.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.446 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.35 -29.71 73.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.334 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.57 6.58 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.612 0.244 . . . . 0.0 110.908 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 66.92 20.59 10.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.006 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -93.57 66.34 3.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -72.5 -31.67 65.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.997 -171.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -67.16 -35.32 79.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.191 0.519 . . . . 0.0 109.814 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -75.57 -38.65 59.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.386 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -65.08 -42.1 94.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.161 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.321 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.38 -40.54 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.865 0.364 . . . . 0.0 110.578 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -83.68 -32.94 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.372 . . . . 0.0 111.046 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.63 -48.35 67.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.634 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.462 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.0 m-80 -60.1 -29.48 68.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.546 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -68.41 -47.54 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.67 HG13 HG13 ' A' ' 691' ' ' VAL . 81.8 t -58.75 -35.87 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.673 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.5 mm -60.65 -28.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.918 178.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 56.4 mt -86.57 -36.55 18.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.977 0.418 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.9 mt -74.33 -40.92 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.97 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.77 93.98 3.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.052 0.453 . . . . 0.0 110.301 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.13 8.12 2.99 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 112.586 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 1.2 m -90.12 -6.95 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.264 0.554 . . . . 0.0 109.662 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 727' ' ' ALA . 14.2 mt -85.6 98.37 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.308 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.35 -33.79 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.198 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 16.7 mm-40 -55.29 -41.27 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.664 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 728' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 731' ' ' LEU . 51.9 mtpt -74.75 -28.31 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.911 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.02 -22.64 36.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.617 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 60.0 mm-40 -79.31 -55.98 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.42 -26.01 67.78 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.163 -173.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.54 ' N ' HD13 ' A' ' 731' ' ' LEU . 7.8 pt-20 -70.26 -37.09 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.201 0.524 . . . . 0.0 109.781 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 5.3 tp10 -80.38 -44.37 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 737' ' ' LEU . 93.0 t -61.23 -35.96 69.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.199 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 45.8 m -65.76 -32.37 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 43.6 mtm-85 -79.83 -33.0 40.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.331 0.586 . . . . 0.0 109.489 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.4 mt -66.08 -41.42 90.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.234 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.53 -31.26 72.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.716 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.126 0.489 . . . . 0.0 111.063 179.711 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.596 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 77.5 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.16 0.505 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -66.72 -38.99 87.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.9 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -76.08 -40.69 52.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.25 -36.71 82.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.309 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.35 -51.76 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.724 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 625' ' ' ALA . 12.3 pt-20 -68.87 -38.5 79.76 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.263 -175.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.87 -35.48 74.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.321 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.06 -39.59 97.32 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.11 -36.28 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.9 mm-40 -63.14 -35.8 81.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.79 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 57.9 m -63.61 -48.25 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.65 -42.0 94.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 120.977 0.417 . . . . 0.0 110.603 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.69 -37.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.791 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.98 -6.13 56.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm 68.68 32.45 4.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.651 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.41 81.55 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.994 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 53.0 m-85 -80.91 -31.55 35.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.466 -168.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -64.41 -29.86 70.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.36 -38.04 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.191 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 642' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -55.76 -36.75 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.098 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.5 mt -52.01 -51.68 55.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.866 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 644' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 36.0 t -63.94 -40.76 97.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -65.33 -43.78 89.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -71.53 -28.4 63.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.639 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.2 t -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.525 . . . . 0.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.3 mm-40 -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.335 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.1 m -67.78 -46.13 72.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.408 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.24 -32.07 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.534 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -62.16 -24.43 67.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.842 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 25.8 mt -97.03 -47.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -142.95 123.07 13.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.538 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.78 1.63 27.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -106.21 24.36 12.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.279 0.561 . . . . 0.0 110.97 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' GLU . . . . . 0.471 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.9 tp10 -105.08 102.66 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 27.3 p -63.17 -24.79 68.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.42 -34.32 76.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.118 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -69.63 -46.89 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.216 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.671 ' CE1' ' HG2' ' A' ' 682' ' ' GLN . 86.8 m-85 -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.642 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.7 p -59.78 -43.77 94.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -74.48 -33.62 62.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.9 ttp180 -65.92 -43.7 87.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.9 -40.47 93.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.82 -39.78 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.544 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 62.7 m -68.62 -45.78 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.663 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.93 -38.05 72.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.551 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.3 mt -56.28 -40.72 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -71.61 -35.01 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.49 11.4 8.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.753 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 82.6 m 61.25 31.32 19.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.639 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -106.49 64.16 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.502 0.667 . . . . 0.0 109.384 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -66.61 -32.77 74.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.244 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.03 -40.38 89.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.77 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.94 -36.98 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.395 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.45 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -55.75 -48.97 74.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -67.5 -33.79 75.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.597 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.766 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 66.0 m -60.7 -39.49 88.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.1 t70 -63.91 -43.19 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.72 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.671 ' HG2' ' CE1' ' A' ' 660' ' ' TYR . 5.9 tp-100 -61.99 -47.82 83.09 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 123.38 0.672 . . . . 0.0 110.58 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.78 -38.91 64.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.074 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.89 -28.32 60.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.917 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -66.49 -31.47 72.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 109.93 174.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 20.9 mt -87.44 -43.69 11.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.258 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -119.43 103.85 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.241 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.88 87.33 4.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.903 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 129.69 26.17 0.88 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.27 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -83.1 105.91 14.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.637 HG13 HG13 ' A' ' 717' ' ' VAL . 88.6 t -56.56 -42.81 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.866 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.52 -35.16 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 693' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -69.09 -39.97 78.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.844 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.213 0.53 . . . . 0.0 110.177 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.411 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.8 t80 -59.21 -43.86 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.434 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.77 -25.71 44.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.263 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -68.07 -39.84 82.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.757 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 86.3 mt -63.36 -38.89 92.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.161 0.505 . . . . 0.0 110.255 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.77 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -61.45 -39.25 90.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -56.07 -45.66 79.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.127 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.27 -21.39 75.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.79 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.94 9.61 41.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 705' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 707' ' ' TYR . 29.6 mtpp 62.9 24.0 14.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.684 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.95 69.29 3.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 707' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 705' ' ' LYS . 37.2 m-85 -76.1 -31.8 58.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.635 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -64.33 -31.28 72.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.177 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -83.37 -42.97 16.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.734 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -60.43 -41.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.345 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.17 -31.6 70.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -44.07 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.899 0.38 . . . . 0.0 110.226 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 717' ' ' VAL . 46.0 m-20 -74.31 -35.97 63.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.708 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.7 mt -65.7 -46.84 77.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.534 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.558 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 21.2 m-80 -61.21 -35.93 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.637 HG13 HG13 ' A' ' 691' ' ' VAL . 84.3 t -60.33 -36.4 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.643 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.6 mm -64.24 -29.15 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.521 . . . . 0.0 110.574 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.6 mt -79.77 -38.41 33.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.73 -45.96 27.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.137 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.83 89.93 7.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.77 8.43 3.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.91 2.407 . . . . 0.0 113.155 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -100.07 0.23 40.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.21 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.492 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.6 mt -83.88 103.01 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.179 0.514 . . . . 0.0 110.446 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.1 -33.8 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.352 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 31.9 mt-10 -55.08 -49.38 71.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.754 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.492 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.91 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -69.09 -31.75 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.548 . . . . 0.0 110.281 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.2 mmt -85.83 -27.86 24.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.81 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -75.43 -48.36 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.631 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.5 OUTLIER -66.06 -30.0 70.44 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.007 -174.287 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.1 pt-20 -68.91 -39.35 79.73 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 7.8 tp10 -69.94 -46.19 65.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.47 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.52 ' HA ' HD12 ' A' ' 737' ' ' LEU . 80.5 t -62.61 -24.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.746 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.3 m -65.61 -36.02 82.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.601 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -40.2 63.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 734' ' ' VAL . 82.6 mt -59.35 -42.59 91.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.772 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.3 tp -66.21 -40.7 90.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.963 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 -179.11 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 83.4 t80 . . . . . 0 C--O 1.228 -0.063 0 CA-C-O 120.927 0.394 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.03 -37.69 88.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -69.65 -53.13 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.796 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.26 -38.63 84.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -64.56 -50.43 67.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.035 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.34 -34.08 74.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.78 -39.66 87.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.811 0.338 . . . . 0.0 110.273 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -60.79 -42.26 99.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.815 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.12 -43.77 87.4 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.02 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.67 -36.31 83.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.311 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 62.7 m -62.79 -44.77 95.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 0.0 109.972 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 639' ' ' TYR . 88.4 t -60.43 -46.81 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.435 0.636 . . . . 0.0 110.205 175.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.68 -22.56 66.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.541 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -92.51 2.39 56.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.172 0.51 . . . . 0.0 110.326 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 637' ' ' LYS . . . . . 0.448 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 35.7 mtmm 65.85 25.77 11.21 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.955 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -109.5 69.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 83.4 m-85 -73.69 -31.91 63.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.083 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.78 -30.61 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.05 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -86.59 -35.12 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.431 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.689 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -54.73 -44.05 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.828 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 35.5 t -69.44 -42.45 74.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -61.62 -47.0 87.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.43 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.73 -29.69 67.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 44.3 t -61.26 -39.82 91.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.31 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.9 -31.7 70.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.548 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.0 m -63.52 -45.39 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.251 175.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.81 -37.46 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -62.94 -28.28 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 110.506 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 33.7 mt -86.99 -44.48 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.391 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -147.48 122.3 9.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.885 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -104.72 11.54 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.707 0.289 . . . . 0.0 110.556 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.473 ' HA ' HD22 ' A' ' 686' ' ' LEU . 35.0 mmtp -104.96 13.01 31.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.467 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.24 105.48 15.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.998 0.427 . . . . 0.0 110.39 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.4 p -66.85 -22.98 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.91 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.04 70.44 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.996 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.25 -52.76 24.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.947 0.403 . . . . 0.0 110.023 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 80.6 m-85 -57.99 -47.56 82.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.38 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 15.5 p -59.9 -38.69 83.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.427 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.24 -32.89 56.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -62.93 -42.59 99.85 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.52 -43.48 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.824 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.47 -38.94 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.237 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.93 -47.15 69.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 16.2 m-85 -56.96 -38.68 73.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.6 mt -57.5 -33.39 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.37 -34.71 54.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.24 12.73 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.852 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 671' ' ' CYS . . . . . 0.438 ' HG ' ' HE1' ' A' ' 673' ' ' PHE . 20.5 t 64.63 32.18 11.59 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.355 0.598 . . . . 0.0 111.123 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 672' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 79.9 mt-30 -107.7 67.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.47 0.653 . . . . 0.0 109.416 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 673' ' ' PHE . . . . . 0.438 ' HE1' ' HG ' ' A' ' 671' ' ' CYS . 44.5 m-85 -70.56 -37.31 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.031 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.24 -41.22 98.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 109.944 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.36 -47.24 74.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.195 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -56.33 -42.56 77.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.711 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.534 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -56.36 -46.02 80.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.753 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.67 -37.64 82.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.165 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -64.94 -43.57 92.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.563 177.202 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.39 -40.45 94.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.67 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.0 t70 -62.45 -49.73 74.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 178.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 86.6 mm-40 -58.24 -34.06 70.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.44 91.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 69.3 mt -72.63 -30.58 64.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.72 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 11.9 mm-40 -63.75 -31.03 72.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.856 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.6 mt -84.57 -49.95 8.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.995 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -124.24 103.35 8.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.231 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.03 87.56 6.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.921 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.0 14.63 0.48 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.042 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -79.81 108.91 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.645 HG13 HG13 ' A' ' 717' ' ' VAL . 98.5 t -57.27 -41.98 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.731 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.51 -33.52 73.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.666 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.69 70.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.44 -51.44 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.48 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 71.5 t80 -58.91 -45.62 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.515 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -77.43 -24.12 50.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.301 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -72.27 -38.49 68.83 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 698' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -60.42 -41.4 93.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.472 174.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -64.46 -35.64 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -66.53 -51.78 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.534 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.1 m-70 -57.99 -41.64 83.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.706 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.63 -40.25 78.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.888 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.45 -27.11 73.12 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.233 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.81 4.1 50.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.416 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 66.62 28.47 9.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.023 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.86 73.49 1.99 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -78.78 -33.94 45.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.329 -169.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -64.5 -35.37 80.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -73.07 -45.83 55.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.929 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 26.5 t -60.73 -40.92 94.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.422 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.15 -30.68 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.689 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.2 -43.25 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.416 ' HB2' ' HB2' ' A' ' 698' ' ' ALA . 70.0 m-20 -75.06 -36.42 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.7 mt -64.63 -47.95 76.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.382 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.617 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 22.1 m-80 -61.32 -32.25 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.099 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.33 -44.23 83.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.645 HG13 HG13 ' A' ' 691' ' ' VAL . 79.0 t -57.45 -39.65 69.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.439 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.8 mm -62.31 -27.71 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.985 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 60.2 mt -81.07 -43.11 19.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.69 -42.93 39.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.32 89.18 5.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.418 . . . . 0.0 110.038 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.34 3.35 6.36 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.528 2.152 . . . . 0.0 112.596 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 15.2 t -89.12 -9.96 49.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.249 0.547 . . . . 0.0 109.694 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.447 HG22 ' H ' ' A' ' 727' ' ' ALA . 14.0 mt -76.44 103.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.121 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.5 mm -65.14 -32.06 56.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 14.1 mm-40 -56.77 -44.75 82.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.205 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.447 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -73.36 -27.8 61.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.926 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -69.85 -26.34 64.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.455 0.645 . . . . 0.0 109.997 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 729' ' ' MET . . . . . 0.428 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.3 mmt -87.09 -33.63 19.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.11 176.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 23.6 mm-40 -69.41 -49.5 54.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.03 -30.1 71.2 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.877 -175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 0.0 OUTLIER -74.79 -36.97 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.657 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.567 ' HG3' ' NH2' ' A' ' 736' ' ' ARG . 38.7 tt0 -71.98 -46.36 57.6 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' ' 737' ' ' LEU . 91.8 t -63.57 -31.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.847 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.3 m -65.87 -30.05 70.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.63 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 14.1 mtm180 -74.84 -46.02 39.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 734' ' ' VAL . 72.7 mt -54.98 -47.57 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.592 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.64 -39.84 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.227 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.534 -178.85 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 653' ' ' ASN . 72.8 t80 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 628' ' ' GLU . 98.7 mttt -63.35 -53.05 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.171 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.98 76.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 111.259 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.18 -45.19 85.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.27 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -66.97 -41.46 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.022 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 624' ' ' LYS . 10.0 mm-40 -62.38 -50.03 73.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.333 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.99 -27.17 66.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.933 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -59.19 -47.64 89.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.557 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -62.14 -33.64 74.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.33 -45.03 95.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.634 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.7 m -60.76 -40.58 93.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.253 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 630' ' ' GLY . 90.2 t -63.19 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.94 -33.23 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.959 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.94 -6.36 50.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 0.0 110.302 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 65.47 29.9 11.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.692 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -101.59 64.15 0.98 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.495 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 61.7 m-85 -68.32 -32.92 73.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.105 -170.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -61.37 -28.73 69.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.14 -37.83 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.35 -33.96 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.427 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.6 mt -52.29 -51.31 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.913 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 644' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 93.8 p -65.18 -39.11 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.678 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -61.86 -44.65 96.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 662' ' ' ASN . 33.3 m-85 -74.7 -28.08 60.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.426 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 43.5 m -67.44 -31.63 71.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.146 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 644' ' ' SER . 32.4 mm-40 -66.34 -32.96 74.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.009 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 81.6 m -67.35 -39.58 85.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.557 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -25.53 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.47 -23.56 63.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.9 mt -97.23 -45.34 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.81 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.472 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 33.4 t30 -149.23 128.33 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -175.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -113.29 10.84 18.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.471 ' C ' HD13 ' A' ' 686' ' ' LEU . 34.9 mmtp -101.38 9.84 41.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.195 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -105.06 107.38 18.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.38 -23.71 65.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.791 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.48 77.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.022 0.439 . . . . 0.0 110.945 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.7 -47.09 90.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.456 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -65.81 -42.26 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.963 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.7 p -61.59 -40.86 96.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.317 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 646' ' ' TYR . 12.0 m-80 -65.12 -43.84 90.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.001 177.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.43 -50.34 71.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.91 -43.6 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.461 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' LEU . . . . . 0.479 ' HB2' ' NH1' ' A' ' 696' ' ' ARG . 3.3 tm? -57.99 -43.87 86.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.939 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.0 m -65.74 -43.81 87.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.79 -37.36 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.602 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -59.77 -32.0 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 111.051 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -76.69 -29.66 56.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.52 16.33 13.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.621 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 44.4 t 63.81 21.68 12.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.364 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.63 68.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 109.952 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -67.39 -37.12 82.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.07 -35.83 78.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.246 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.71 -41.98 52.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.256 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.337 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.0 ttmt -53.99 -44.02 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.891 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -64.18 -50.83 66.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.414 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -33.52 76.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.467 -177.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.689 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 20.3 t70 -66.56 -41.15 89.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.556 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 86.1 mm-40 -60.11 -36.57 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.634 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.9 90.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.59 -31.93 70.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.209 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.0 mt-30 -61.29 -28.17 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 18.2 mt -92.37 -42.78 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.162 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.64 103.31 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.535 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.78 90.91 5.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.589 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.15 19.14 0.55 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.062 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.49 106.17 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.811 HG13 HG13 ' A' ' 717' ' ' VAL . 92.3 t -56.36 -40.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.692 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -65.51 -31.62 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.55 59.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.52 -50.43 63.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.11 0.481 . . . . 0.0 110.683 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.616 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 75.7 t80 -58.59 -43.27 89.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.384 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.479 ' NH1' ' HB2' ' A' ' 665' ' ' LEU . 97.6 mtt180 -78.26 -26.45 47.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.273 -176.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.46 -39.55 77.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 698' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -61.1 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.5 mt -61.05 -42.11 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.084 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.53 64.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.812 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 58.8 m-70 -57.48 -44.93 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.89 -45.79 78.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -65.92 -24.02 71.34 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.663 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.8 7.67 44.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.29 26.45 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.748 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 706' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 88.1 m-20 -99.58 76.47 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -80.52 -36.05 33.71 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.205 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -65.39 -35.93 82.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -70.48 -44.84 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.86 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.28 -40.31 93.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.082 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.86 -33.71 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.43 -37.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.548 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 717' ' ' VAL . 65.4 m-20 -83.45 -33.99 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.2 -47.69 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.548 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.556 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 37.8 m-80 -61.51 -32.68 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.593 ' O ' HD22 ' A' ' 720' ' ' LEU . 0.1 OUTLIER -65.02 -46.9 79.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.741 176.796 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.811 HG13 HG13 ' A' ' 691' ' ' VAL . 70.0 t -54.96 -39.72 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.959 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.9 mm -63.59 -23.77 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.479 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.3 mt -76.2 -53.97 7.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 720' ' ' LEU . . . . . 0.593 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -60.25 -58.22 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.455 0.645 . . . . 0.0 111.126 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -127.57 90.87 47.2 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.409 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.41 2.93 5.74 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.018 2.478 . . . . 0.0 113.288 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 21.0 m -103.45 2.08 33.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.765 0.317 . . . . 0.0 111.231 -174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.518 HG22 ' H ' ' A' ' 727' ' ' ALA . 22.9 mt -81.62 106.5 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.155 0.502 . . . . 0.0 110.665 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.48 -34.78 71.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 20.4 mm-40 -55.08 -48.67 73.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.521 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.518 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.73 -29.86 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.983 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -71.92 -28.22 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 0.0 110.107 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.7 mmt -85.03 -21.15 29.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.537 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 57.7 mm-40 -80.53 -50.16 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.442 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.7 OUTLIER -65.43 -27.08 68.27 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.819 -175.778 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.3 pt-20 -73.24 -39.22 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.49 ' CD ' HH21 ' A' ' 736' ' ' ARG . 7.4 tp10 -69.7 -48.48 59.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.394 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.505 ' HA ' HD12 ' A' ' 737' ' ' LEU . 95.2 t -61.47 -32.22 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.167 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.5 m -64.02 -35.85 82.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.49 HH21 ' CD ' ' A' ' 733' ' ' GLU . 32.8 mtm180 -79.96 -36.42 36.19 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 734' ' ' VAL . 89.4 mt -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.213 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.81 -29.99 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.524 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.716 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 88.7 t80 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.35 -50.86 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.766 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -64.12 -42.31 96.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.012 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.33 -40.31 95.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.109 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.75 -45.41 94.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 48.0 mt-10 -58.6 -47.22 85.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.516 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 629' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 62.6 mm-40 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -56.28 -48.74 72.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -61.76 -41.96 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.583 0.23 . . . . 0.0 111.233 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.2 mm-40 -62.7 -30.84 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.556 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 69.3 m -75.66 -48.33 22.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.114 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.4 t -54.82 -44.74 73.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -74.56 -12.44 60.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.671 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -105.67 10.21 32.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.228 0.537 . . . . 0.0 110.034 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 637' ' ' LYS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 639' ' ' TYR . 51.0 mtpt 63.24 23.95 14.09 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.03 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 60.1 t30 -100.53 56.84 0.91 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.929 0.871 . . . . 0.0 108.917 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.611 ' CE1' ' HA ' ' A' ' 637' ' ' LYS . 83.8 m-85 -67.63 -30.52 70.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.861 -174.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -60.95 -39.49 89.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.81 -31.64 28.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.034 0.445 . . . . 0.0 110.308 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.77 68.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.742 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.7 mt -54.3 -46.3 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.853 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 27.4 m -69.67 -36.45 76.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.977 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.08 -44.01 77.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' A' ' 650' ' ' LEU . 29.6 m-85 -71.6 -25.06 62.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 23.1 t -65.35 -33.66 76.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.53 -32.56 66.22 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 646' ' ' TYR . 67.1 m -59.77 -40.58 88.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.006 174.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 650' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 646' ' ' TYR . 85.5 mt -72.53 -10.42 59.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.673 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 52.0 mt -99.63 -51.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.819 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 46.2 t30 -135.59 126.58 27.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 111.047 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -118.82 12.5 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 686' ' ' LEU . 26.9 tptp -94.29 -9.67 35.28 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 121.085 0.469 . . . . 0.0 110.809 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -92.39 106.45 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.101 0.476 . . . . 0.0 111.087 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.77 -20.94 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.655 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.3 -30.29 71.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.721 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.07 -50.46 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 65.0 m-85 -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.944 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 7.0 p -65.56 -40.7 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.304 . . . . 0.0 111.005 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' ASN . . . . . 0.441 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 8.5 m-80 -64.98 -39.85 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.446 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -57.78 -51.3 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.546 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.03 -43.6 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.132 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' LEU . . . . . 0.422 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 54.6 tp -55.92 -45.57 78.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.543 176.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.25 -47.18 83.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.798 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.86 -32.87 68.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.925 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -63.93 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.132 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.5 mptp? -76.24 -28.7 57.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.18 3.81 52.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.503 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.0 m 62.05 24.94 14.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.469 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -94.4 68.16 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -64.11 -35.6 81.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.205 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.71 -38.6 88.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.26 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -72.35 -46.45 55.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.033 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -57.56 -40.75 79.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.528 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.472 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -53.21 -44.73 68.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.038 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.1 -44.46 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.216 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 2.1 m-20 -61.42 -34.52 75.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.57 -41.54 96.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.94 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.89 -40.02 96.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.265 0.555 . . . . 0.0 110.041 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.585 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 78.6 mm-40 -64.05 -33.42 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.72 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.67 70.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.417 . . . . 0.0 110.779 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.5 mt -78.07 -29.65 49.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.898 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 682' ' ' GLN . 3.4 pt20 -66.53 -36.88 83.79 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.21 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.8 mt -76.15 -42.03 48.03 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.948 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.73 104.08 7.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -78.49 80.31 4.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.407 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 145.18 26.37 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.214 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.31 104.79 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.669 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -54.72 -42.9 63.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.665 -176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.643 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 98.9 mttt -64.91 -35.51 81.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.42 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -64.67 -47.03 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 109.921 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.568 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 59.4 t80 -60.03 -43.41 95.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 29.2 mmt180 -64.27 -42.66 96.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 0.0 110.586 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 701' ' ' HIS . 43.8 ttp180 -69.33 -37.15 77.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.956 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.32 92.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 82.9 mt -67.48 -40.28 85.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.291 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.38 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.814 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.472 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 54.2 m-70 -61.06 -40.17 92.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.8 -42.09 78.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.89 -20.73 78.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.649 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 67.6 mt -96.42 5.83 50.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 62.36 30.87 17.47 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.088 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 706' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.0 m-20 -101.8 66.8 1.07 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 174.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -74.44 -30.95 62.11 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.113 -167.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 708' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 712' ' ' ILE . 61.0 tp60 -63.18 -42.74 99.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.38 -43.71 93.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.668 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.8 t -61.31 -43.78 98.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.14 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 55.5 mt -58.56 -34.8 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 712' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.3 mt -63.34 -36.92 78.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.442 . . . . 0.0 110.476 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 717' ' ' VAL . 60.9 m-20 -80.46 -36.39 33.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.3 mt -66.61 -47.84 71.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.598 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.0 m-80 -61.8 -32.21 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.025 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -66.81 -41.71 87.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.585 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.669 HG13 HG13 ' A' ' 691' ' ' VAL . 72.3 t -60.03 -37.48 72.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.9 mm -66.11 -27.67 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.872 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.0 mt -73.63 -40.05 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.223 0.535 . . . . 0.0 110.321 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.5 mt -79.62 -47.49 15.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.655 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -143.24 93.44 6.48 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 0.0 110.473 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.55 9.97 2.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.066 2.51 . . . . 0.0 112.592 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.0 m -93.49 -15.24 25.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 727' ' ' ALA . 15.8 mt -73.9 104.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.76 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.55 -34.02 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.423 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 37.0 mt-10 -54.87 -46.16 74.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.01 -29.42 64.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.005 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.395 0.617 . . . . 0.0 109.927 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -84.29 -22.63 30.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.802 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -82.38 -48.72 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -24.73 66.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.776 -175.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.0 pt-20 -74.43 -39.2 62.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.058 0.456 . . . . 0.0 109.825 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 6.4 tp10 -75.91 -44.47 40.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.56 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.0 t -61.57 -32.51 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.241 -178.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.9 m -65.1 -35.06 79.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.4 mtm-85 -77.98 -38.82 44.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.369 0.604 . . . . 0.0 109.517 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 734' ' ' VAL . 70.5 mt -61.5 -39.58 91.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.784 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.91 -35.39 80.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.706 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.4 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -62.6 -49.89 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.732 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.1 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.026 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.67 -37.83 82.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -64.07 -51.44 64.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.0 110.36 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.14 -52.09 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.182 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.35 -34.91 79.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.08 96.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.89 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -63.67 -34.06 77.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.81 -38.48 89.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.318 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.12 -39.58 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.43 -49.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.83 -33.68 76.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -77.33 0.02 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.709 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 65.81 20.78 11.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.849 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.56 61.5 0.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.457 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 78.9 m-85 -64.55 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.066 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -62.91 -28.42 70.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.3 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -85.87 -36.67 19.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 109.896 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.07 75.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.685 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.3 mt -54.42 -47.96 72.19 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.63 176.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.6 m -66.45 -40.06 89.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.057 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.16 -45.5 80.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -69.46 -26.73 64.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 t -64.48 -37.76 88.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.986 0.422 . . . . 0.0 109.919 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 651' ' ' LYS . 34.5 mm-40 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.037 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.42 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 65.4 m -57.7 -47.06 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.575 177.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -57.69 -40.6 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.426 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' A' ' 648' ' ' GLU . 52.4 mtmt -64.22 -22.44 66.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.272 0.558 . . . . 0.0 110.73 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.9 mt -90.28 -42.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.208 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -155.54 119.74 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.892 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -101.45 8.66 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.828 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -98.61 10.51 40.88 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.712 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.23 108.17 19.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.5 p -64.51 -23.42 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.705 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.02 71.89 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.042 0.448 . . . . 0.0 111.181 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 46.7 mm -72.2 -47.22 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -64.31 -46.63 82.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.701 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.2 p -61.1 -43.11 99.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.67 0.271 . . . . 0.0 111.543 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -77.79 -30.07 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.846 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.7 ttp180 -69.45 -40.97 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.23 -39.6 90.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.538 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.64 -36.66 76.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.214 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 74.5 m -71.37 -43.65 66.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.521 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -57.12 -35.52 69.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.606 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.7 mt -58.08 -31.61 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.177 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -80.83 -35.21 33.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.16 8.51 15.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 67.15 19.96 10.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.861 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -93.22 65.32 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.274 0.559 . . . . 0.0 109.505 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 673' ' ' PHE . . . . . 0.452 ' HB2' HD21 ' A' ' 704' ' ' LEU . 44.5 m-85 -66.68 -36.42 82.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.635 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.25 -39.92 88.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.57 -44.04 68.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.31 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.095 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.8 ttmt -56.1 -48.07 76.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.64 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.259 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.74 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.5 m -63.42 -37.01 85.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 32.7 t70 -64.88 -41.6 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -60.51 -43.29 97.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.87 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 53.7 mt -72.63 -27.19 61.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 88.3 mt-30 -70.05 -34.53 73.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.457 . . . . 0.0 109.955 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.58 -40.73 25.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 103.88 8.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.395 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.97 88.75 5.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.341 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.17 21.86 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.155 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -80.17 105.71 11.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.667 HG13 HG13 ' A' ' 717' ' ' VAL . 96.4 t -57.34 -42.46 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.414 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.9 -33.66 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.81 -40.47 72.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -66.82 -49.07 66.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.069 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.639 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.1 t80 -58.94 -47.65 84.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.381 -176.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.57 -25.09 59.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.318 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.48 -40.21 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 698' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -58.37 -41.37 84.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.647 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 64.1 mt -61.86 -39.46 91.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.018 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 700' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 673' ' ' PHE . . . -64.14 -52.01 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.941 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.45 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 74.3 m-70 -57.17 -39.22 74.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.12 -38.61 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.668 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -79.23 -14.45 81.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.46 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 673' ' ' PHE . 53.2 mt -100.69 10.03 41.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.744 0.307 . . . . 0.0 110.569 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 63.07 26.14 15.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.218 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 706' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.2 m-20 -101.77 71.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.998 -170.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 708' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.4 tp60 -67.83 -38.2 82.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 709' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 706' ' ' ASN . 45.3 mmtm -64.11 -44.81 91.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.73 176.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.7 t -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.243 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 37.6 mt -58.85 -34.68 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.458 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 712' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 708' ' ' GLN . 69.6 mt -61.74 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.0 m-20 -77.31 -34.49 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.123 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.7 mt -66.8 -47.85 70.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.542 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.698 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 29.3 m-80 -62.15 -34.25 76.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -60.19 -44.47 95.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.096 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.667 HG13 HG13 ' A' ' 691' ' ' VAL . 70.4 t -61.82 -39.74 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.726 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -65.47 -28.27 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.1 0.476 . . . . 0.0 110.518 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 69.2 mt -74.19 -43.17 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.095 0.474 . . . . 0.0 110.499 176.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.29 -43.76 55.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.896 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.35 93.74 4.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.534 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.64 9.02 3.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.893 2.395 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 19.2 t -97.7 -3.38 39.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 109.804 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 727' ' ' ALA . 26.7 mt -82.56 106.16 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.33 -31.02 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.338 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.49 -46.36 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.419 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.589 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.51 -27.37 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -71.63 -28.73 63.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.1 mmt -86.19 -24.39 26.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.703 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -76.46 -50.97 12.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.507 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 714' ' ' LEU . 1.0 OUTLIER -68.33 -27.35 66.2 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.207 -173.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 8.5 pt-20 -70.21 -36.77 74.8 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 44.0 tt0 -71.42 -47.35 56.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.31 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 737' ' ' LEU . 90.5 t -61.01 -33.98 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.779 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 95.8 m -65.31 -32.8 74.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 30.2 mtm180 -75.05 -34.88 61.89 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 734' ' ' VAL . 54.1 mt -69.42 -42.57 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.474 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.4 tp -63.77 -30.87 71.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.904 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.242 179.675 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 88.2 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 110.083 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -66.89 -40.03 87.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.906 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' ALA . . . . . 0.437 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.38 -32.99 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.48 -40.76 70.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -64.39 -46.18 84.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.702 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.7 pt-20 -62.96 -43.73 97.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.032 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -69.92 -30.55 67.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.855 0.359 . . . . 0.0 110.352 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.65 99.71 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.63 -42.28 96.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.025 0.441 . . . . 0.0 109.986 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 17.4 mm-40 -63.55 -40.01 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.565 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 76.0 m -63.49 -45.06 92.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.104 0.253 . . . . 0.0 110.654 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.08 -41.17 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.95 0.405 . . . . 0.0 110.427 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.34 -39.82 94.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.93 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.86 -8.78 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 0.0 110.565 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 637' ' ' LYS . . . . . 0.408 ' HB2' ' NZ ' ' A' ' 637' ' ' LYS . 8.7 mtmp? 70.26 20.31 6.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.846 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.58 77.12 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.55 0.691 . . . . 0.0 109.203 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.549 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 62.0 m-85 -70.66 -25.12 62.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.913 -173.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 640' ' ' LYS . . . . . 0.413 ' HA ' HD11 ' A' ' 670' ' ' LEU . 44.3 mtmt -56.65 -53.04 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.931 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -82.65 -19.64 37.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.04 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.5 81.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 86.9 mt -57.62 -41.96 82.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.592 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 7.0 m -64.67 -49.41 71.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.26 -47.71 80.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.2 m-85 -72.89 -24.95 60.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.164 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 47.4 t -68.34 -44.14 75.97 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.13 -25.18 66.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 83.1 m -63.83 -43.54 95.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.246 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.52 -28.99 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.087 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -61.98 -27.24 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.6 mt -98.33 -51.55 10.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.763 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -138.72 115.28 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.264 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -103.01 12.66 35.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.057 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.415 ' HA ' HD22 ' A' ' 686' ' ' LEU . 31.2 mmmt -103.17 11.52 36.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.26 95.96 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.635 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.21 -26.7 68.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.343 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.49 75.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.001 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 48.5 mm -61.96 -46.81 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.162 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -63.51 -43.34 97.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.273 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.4 p -65.94 -28.25 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.07 -39.9 32.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.545 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -63.26 -44.31 95.51 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.23 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.662 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.33 -42.5 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.3 -45.88 92.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.987 0.422 . . . . 0.0 109.88 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.61 -38.03 89.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.768 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 19.1 m-85 -64.95 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 177.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 92.2 mt -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.573 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -73.24 -33.18 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.851 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 640' ' ' LYS . 81.8 mt -100.1 28.14 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 28.3 p 47.37 34.85 3.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.082 0.953 . . . . 0.0 112.976 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 49.2 mt-30 -107.53 65.42 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.311 0.577 . . . . 0.0 109.729 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.48 -37.2 79.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.607 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.33 -37.63 83.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.968 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.23 -42.25 72.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.971 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.995 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -54.34 -44.25 71.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.09 -44.99 96.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.35 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -38.85 82.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.28 -40.42 94.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.373 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.8 t70 -66.38 -40.93 90.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.301 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.567 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 89.6 mm-40 -62.14 -37.62 85.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.76 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.702 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.86 -31.05 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.437 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.8 mt-30 -63.76 -29.81 70.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.41 . . . . 0.0 110.296 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 21.7 mt -88.88 -47.07 8.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -117.86 103.8 10.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.59 92.73 5.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.011 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 123.57 19.37 2.82 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.175 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -76.93 106.35 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -56.49 -37.63 52.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.297 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 62.8 mttm -65.67 -37.21 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.596 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.72 84.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -65.89 -47.55 74.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.233 0.539 . . . . 0.0 110.026 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.581 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.2 t80 -59.07 -42.54 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.981 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.2 mmt180 -64.98 -44.34 89.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.02 -36.95 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.929 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.28 95.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.658 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.1 mt -66.04 -37.49 85.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.103 0.478 . . . . 0.0 110.256 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.01 -52.28 63.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.677 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.21 -35.71 77.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.813 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.89 -43.32 86.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.344 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -74.94 -21.6 78.19 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.246 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.68 8.42 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.725 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 62.68 22.27 13.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.941 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.22 67.28 1.57 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -74.25 -29.27 61.6 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.154 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -66.91 -32.45 73.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 109.511 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -78.26 -40.25 37.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -64.05 -41.34 97.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.219 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.13 -32.94 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.73 -40.03 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.918 0.39 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.5 m-20 -83.4 -34.7 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.9 mt -65.69 -48.07 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.369 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.66 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.3 m-80 -59.73 -39.1 83.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 12.1 tptm -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.395 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 691' ' ' VAL . 70.7 t -61.46 -39.89 84.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 175.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.3 mm -64.35 -36.34 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.34 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 68.9 mt -69.31 -38.61 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 110.693 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 720' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 83.6 mt -78.91 -44.29 22.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.067 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -144.41 89.29 6.95 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 109.982 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.74 7.14 4.04 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.905 2.403 . . . . 0.0 113.044 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 25.6 m -97.56 -3.86 38.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.515 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.4 mt -80.26 95.73 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.816 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.06 -34.61 67.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.348 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 62.8 mm-40 -54.09 -44.0 70.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.627 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.515 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -76.05 -28.38 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 728' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 30.3 mtpp -74.9 -24.22 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.219 0.533 . . . . 0.0 110.168 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.0 mmt -86.33 -19.78 29.3 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.576 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 20.0 mm-40 -80.49 -51.69 8.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.783 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -63.74 -26.85 68.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.059 -174.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 731' ' ' LEU . 6.9 pt-20 -73.46 -34.76 65.53 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 736' ' ' ARG . 9.2 tp10 -77.75 -44.28 28.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.95 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.523 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.1 t -60.71 -30.94 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.9 m -65.0 -36.81 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.473 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.449 HH21 ' CD ' ' A' ' 733' ' ' GLU . 60.8 mtm-85 -77.37 -38.47 50.03 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.342 0.591 . . . . 0.0 109.533 -177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 734' ' ' VAL . 75.7 mt -61.2 -39.48 90.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.422 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.3 tp -71.39 -29.92 65.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.895 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.348 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 86.5 t80 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.086 0.469 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.77 -42.36 97.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.579 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' ALA . . . . . 0.487 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.71 -38.01 76.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -38.69 91.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.7 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.14 -48.2 79.49 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.0 pt-20 -65.46 -39.56 92.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.54 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -60.9 -43.7 98.14 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.273 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.44 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -59.45 -44.53 96.6 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.715 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.88 -41.94 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.842 0.353 . . . . 0.0 110.667 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.0 mm-40 -59.72 -40.57 88.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 56.5 m -69.62 -37.49 76.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 630' ' ' GLY . 98.3 t -63.92 -44.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 121.043 0.449 . . . . 0.0 110.237 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.62 -34.08 77.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.53 -5.91 57.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.797 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 56.0 mttp 66.81 22.9 10.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.921 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -101.63 67.45 1.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -66.45 -32.17 73.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.666 -171.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.16 -29.34 70.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.354 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.26 -35.02 21.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 0.0 109.866 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 642' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -57.07 -39.86 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.853 177.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 670' ' ' LEU . 93.2 mt -54.75 -45.5 74.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.739 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 21.7 t -65.63 -39.74 91.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.29 -44.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -70.13 -27.11 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.894 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 14.2 t -62.39 -37.78 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.02 0.438 . . . . 0.0 109.893 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.94 -25.71 63.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 63.7 m -66.27 -42.26 88.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.194 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.52 -10.32 58.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -77.01 -30.32 55.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.101 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 43.3 mt -97.0 -50.96 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.371 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 35.1 t30 -137.19 131.58 32.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -175.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -119.01 14.52 13.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.039 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.403 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.6 mmtm -102.07 2.42 37.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 656' ' ' GLU . . . . . 0.43 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.4 tp10 -91.48 93.0 8.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 4.1 p -61.48 -22.24 64.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.32 85.35 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.592 0.235 . . . . 0.0 110.943 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.6 mm -58.32 -45.89 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.908 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.18 -46.2 78.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -62.55 -33.86 75.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.468 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -80.68 -38.0 29.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.591 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 2.8 ttp180 -68.55 -38.61 80.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.192 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.42 -41.12 88.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.727 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 67.5 tp -60.38 -39.22 86.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.357 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.71 -37.01 83.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.557 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 19.1 m-85 -66.66 -34.29 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.349 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 88.2 mt -63.57 -30.26 71.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.379 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -85.4 -18.7 32.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.187 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 672' ' ' GLN . 72.7 mt -102.56 24.79 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.731 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 27.9 p 45.85 36.59 2.93 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.096 0.873 . . . . 0.0 112.133 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 670' ' ' LEU . 97.1 mt-30 -113.55 57.69 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.647 0.737 . . . . 0.0 109.456 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -67.14 -35.08 78.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.098 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -61.78 -33.56 74.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.45 -43.07 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.265 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 676' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -59.8 -38.79 82.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.48 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -55.66 -35.63 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.822 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -75.1 -41.23 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.725 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -45.31 94.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.664 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 42.3 m -61.51 -33.45 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.524 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.67 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 14.8 t70 -61.51 -55.12 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.78 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.609 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 88.6 mm-40 -60.47 -36.7 78.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.294 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.11 94.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.0 110.985 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.14 -29.51 61.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.8 mm-40 -65.01 -30.32 71.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.221 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.7 mt -86.4 -44.89 11.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.268 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.66 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.72 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.56 90.35 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.39 0.614 . . . . 0.0 109.67 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.92 10.21 0.57 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.394 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -77.82 101.73 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 717' ' ' VAL . 95.4 t -57.54 -39.89 71.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.192 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.703 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 61.5 mtpt -60.24 -37.02 79.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -68.23 -44.61 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -63.12 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.334 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.562 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 66.0 t80 -62.83 -41.58 99.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.045 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 23.7 mmt180 -65.55 -40.01 92.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.701 0.286 . . . . 0.0 110.331 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 681' ' ' ASP . 23.5 ttm180 -66.9 -40.44 87.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.93 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 698' ' ' ALA . . . . . 0.401 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -59.66 -42.48 92.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.475 175.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 87.1 mt -67.06 -38.35 85.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 177.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 700' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' A' ' 704' ' ' LEU . . . -60.89 -53.72 53.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.48 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 57.8 m-70 -61.59 -37.3 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.45 -46.48 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.444 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.34 -20.98 75.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 700' ' ' ALA . 55.4 mt -93.43 6.52 47.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 109.849 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 60.34 29.81 19.31 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.046 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -100.61 69.17 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.032 -0.985 . . . . 0.0 108.778 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 707' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 37.0 m-85 -76.35 -27.08 56.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.542 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -65.93 -36.8 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.363 0.601 . . . . 0.0 109.411 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -48.01 47.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.268 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 28.4 t -59.53 -41.36 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.609 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.61 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.58 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 110.159 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.404 ' O ' HG23 ' A' ' 717' ' ' VAL . 50.4 m-20 -78.14 -35.66 48.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.597 ' O ' HG12 ' A' ' 718' ' ' ILE . 91.2 mt -65.89 -48.38 71.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.552 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 23.0 m-80 -59.02 -35.5 73.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -63.61 -42.61 98.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 691' ' ' VAL . 69.0 t -60.42 -42.68 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -61.48 -30.46 48.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 79.8 mt -78.86 -39.18 35.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 111.171 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.48 -41.83 54.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.674 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -146.21 89.88 5.86 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.119 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.48 5.87 4.84 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.762 2.308 . . . . 0.0 112.847 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.7 p -102.6 4.3 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.929 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.5 mt -83.19 99.5 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -60.33 -36.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.678 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 25.1 mm-40 -57.34 -44.29 84.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.554 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.49 -31.79 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 728' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 728' ' ' LYS . 9.1 mtpm? -73.17 -28.8 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.27 0.557 . . . . 0.0 110.33 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.83 -19.93 29.91 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.722 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 35.8 mm-40 -75.51 -56.03 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.252 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.408 ' CA ' HD13 ' A' ' 714' ' ' LEU . 1.4 pt? -64.47 -28.56 69.75 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.348 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.55 -28.65 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.332 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 40.2 tt0 -83.36 -43.83 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.464 ' HA ' HD12 ' A' ' 737' ' ' LEU . 84.0 t -60.82 -32.77 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.173 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.3 m -62.68 -34.98 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.0 mtm105 -78.62 -40.18 35.1 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 734' ' ' VAL . 91.5 mt -59.16 -39.08 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.638 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.85 -34.33 76.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.841 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.823 -178.172 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 91.1 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.215 0.531 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.07 -40.91 82.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.05 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.6 -44.06 96.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.647 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.52 -49.53 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.4 mt-10 -64.94 -43.92 91.17 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.448 -176.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -63.81 -33.79 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.84 -45.69 95.17 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 172.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.64 -43.65 85.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.264 177.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.4 mm-40 -62.57 -40.19 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.569 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 77.4 m -65.29 -38.93 91.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 176.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 630' ' ' GLY . 75.5 t -59.26 -51.13 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.833 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -67.95 -19.73 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.401 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -96.42 6.47 48.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.564 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 637' ' ' LYS . . . . . 0.463 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 59.4 mttp 62.91 24.41 14.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 65.8 t30 -112.3 63.34 0.63 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.725 0.774 . . . . 0.0 109.039 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.463 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 77.8 m-85 -68.9 -27.2 65.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.056 . . . . 0.0 111.612 -172.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -62.81 -30.48 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.28 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.23 -24.98 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.505 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 642' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -62.46 -40.99 98.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.732 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.3 mt -55.31 -42.82 74.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.836 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.2 m -62.1 -38.37 88.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.126 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.26 -40.79 43.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.791 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.89 -29.22 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.216 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 33.4 t -61.96 -41.93 98.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 110.01 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.93 -21.5 60.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.3 m -66.21 -40.87 90.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.124 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.81 -11.41 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.211 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.7 -33.37 72.43 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.367 0.603 . . . . 0.0 109.587 169.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.2 mt -95.82 -53.28 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.245 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 35.1 t30 -141.18 127.46 19.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.278 -172.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -116.58 9.22 14.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.466 ' C ' HD13 ' A' ' 686' ' ' LEU . 21.0 tptm -90.59 -11.8 38.9 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.621 0.725 . . . . 0.0 110.072 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.02 98.99 9.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.699 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 3.7 p -60.87 -23.94 65.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.747 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.77 69.49 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 111.4 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.582 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -71.01 -47.92 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.1 m-85 -65.48 -41.7 93.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.583 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 23.3 p -61.36 -50.92 70.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.949 0.404 . . . . 0.0 110.775 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -70.61 -31.39 68.34 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.945 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 6.4 ttp180 -68.23 -42.38 79.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.46 -41.14 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.421 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.5 -37.62 75.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.081 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.58 -48.4 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.487 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.43 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 26.5 m-85 -58.1 -31.19 66.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.686 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.5 mt -61.29 -32.6 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.413 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 639' ' ' TYR . 5.1 mptp? -83.1 -26.11 31.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.206 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.41 13.0 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.529 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 77.5 m 59.69 29.19 18.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.967 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -103.97 61.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.405 0.622 . . . . 0.0 109.474 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -66.78 -33.4 75.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.131 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.17 -39.58 95.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.22 -43.5 64.33 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 676' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -56.82 -39.54 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.688 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -55.6 -45.96 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.137 0.494 . . . . 0.0 110.476 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 678' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 682' ' ' GLN . 49.8 mt-30 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.31 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 10.0 m-20 -65.07 -45.89 83.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.349 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 47.4 m -62.45 -35.58 79.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.94 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 25.2 t70 -62.52 -46.8 86.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.182 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.581 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 89.9 mm-40 -60.75 -39.44 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.57 91.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.13 -29.7 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.24 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.8 mt-30 -63.66 -29.93 71.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.3 mt -88.57 -45.25 10.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.35 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.97 104.05 8.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.654 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -79.48 90.4 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.999 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 134.23 20.07 0.84 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.52 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -79.62 105.29 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.648 HG13 HG13 ' A' ' 717' ' ' VAL . 59.7 t -58.75 -39.96 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.779 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 696' ' ' ARG . 29.4 mmmt -63.95 -34.75 78.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.065 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.12 -44.17 63.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.286 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -61.59 -47.18 86.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.888 0.375 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.493 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.1 t80 -58.58 -39.62 80.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 692' ' ' LYS . 52.6 mtt85 -72.94 -39.52 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.557 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -66.13 -34.97 79.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.02 90.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.562 173.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.4 mt -63.68 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.03 69.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.6 m-70 -63.18 -37.4 87.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.792 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -40.48 83.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -73.17 -26.43 70.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.081 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.01 10.65 23.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.657 0.265 . . . . 0.0 110.832 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 61.31 29.3 18.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.399 0.619 . . . . 0.0 110.804 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 706' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 94.5 m-20 -106.01 67.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -73.21 -29.23 62.66 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.329 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -63.21 -35.91 81.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.595 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 709' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' A' ' 709' ' ' LYS . 29.5 mmmt -77.64 -39.93 43.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.726 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.9 t -64.54 -41.66 96.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.128 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.27 -35.17 73.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.237 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.1 -36.28 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.572 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 717' ' ' VAL . 71.8 m-20 -82.31 -36.07 27.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.2 mt -67.51 -48.5 66.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.425 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -63.4 -25.82 68.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.09 -48.11 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.648 HG13 HG13 ' A' ' 691' ' ' VAL . 77.5 t -56.1 -36.55 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.498 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 714' ' ' LEU . 40.4 mm -61.71 -28.93 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.34 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 57.5 mt -84.5 -42.27 15.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.539 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.58 -36.8 76.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.66 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -151.51 93.06 3.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.236 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.51 2.96 6.3 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.774 2.316 . . . . 0.0 113.426 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.1 p -103.09 10.43 37.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 0.0 110.946 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.7 mt -87.88 104.34 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.029 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.8 mm -69.08 -38.31 78.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.09 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.68 -35.4 76.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.476 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.2 -29.47 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.746 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -73.91 -26.39 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.189 0.519 . . . . 0.0 110.275 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.6 mmt -86.94 -19.81 28.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.037 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.68 -52.62 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.503 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -26.96 67.06 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.15 -174.731 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.511 ' N ' HD13 ' A' ' 731' ' ' LEU . 0.0 OUTLIER -73.28 -26.36 61.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.65 . . . . 0.0 109.847 178.135 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.17 -46.88 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -62.5 -36.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.719 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 47.0 m -63.5 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.334 177.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -80.55 -39.77 27.14 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 734' ' ' VAL . 57.7 mt -57.14 -41.36 78.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.814 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.55 -36.78 84.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.727 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.004 -178.365 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 86.9 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.048 0.451 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.14 -44.26 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.542 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.29 93.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.839 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.44 -42.6 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.18 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.421 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 28.3 mm-40 -59.59 -46.09 89.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.491 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.73 -39.26 87.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.567 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.64 -43.37 96.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.794 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.75 -41.33 77.37 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.607 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.6 mm-40 -63.94 -39.24 93.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.63 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 66.1 m -66.52 -38.25 86.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.446 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.36 -47.54 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.0 110.484 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -70.42 -23.97 62.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.84 -2.68 56.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.32 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt 64.31 27.63 13.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.404 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 54.4 t30 -112.18 73.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.073 176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.563 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.9 m-85 -73.84 -21.2 60.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.787 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -58.39 -43.59 88.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.363 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.86 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.119 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.32 79.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.666 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 94.6 mt -53.66 -48.84 69.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.751 176.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.2 m -62.22 -42.6 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.827 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.27 -46.61 69.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.272 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.61 -31.24 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.717 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 647' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 48.9 m -67.93 -30.8 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.974 0.416 . . . . 0.0 110.236 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.97 -32.16 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 174.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 70.1 m -62.66 -49.6 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.791 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.1 mt -56.68 -35.5 68.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.558 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 647' ' ' SER . 63.7 mttm -62.21 -23.11 66.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.444 . . . . 0.0 110.639 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.5 mt -96.23 -40.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.416 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 43.3 t30 -149.68 123.38 9.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.601 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -111.66 20.72 16.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.504 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -103.81 9.99 36.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.65 98.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.261 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 19.8 p -62.69 -25.17 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.594 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.16 78.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.757 0.313 . . . . 0.0 111.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 47.3 mm -62.32 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 64.6 m-85 -66.23 -46.35 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 661' ' ' THR . . . . . 0.632 HG21 ' HG3' ' A' ' 692' ' ' LYS . 7.4 p -62.03 -35.59 79.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.766 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -80.14 -37.93 32.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.537 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.543 ' HB3' ' OD1' ' A' ' 679' ' ' ASP . 3.8 ttp180 -68.51 -36.05 78.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.748 0.308 . . . . 0.0 110.276 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -63.13 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.285 174.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.63 -41.24 66.5 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 639' ' ' TYR . 76.8 m -62.87 -50.9 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.646 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 9.3 m-85 -56.29 -39.86 73.37 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.416 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -57.58 -40.5 79.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.304 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -72.4 -28.64 63.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.4 13.15 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.973 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.7 m 60.76 35.43 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.569 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 672' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 75.7 mt-30 -106.97 67.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -70.68 -36.28 73.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.983 -169.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.5 -41.36 97.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 110.314 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.48 -34.96 65.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.069 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.8 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -55.44 -48.3 74.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.591 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.52 -43.58 96.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.371 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.543 ' OD1' ' HB3' ' A' ' 663' ' ' ARG . 5.9 m-20 -59.13 -45.77 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 61.0 m -60.83 -39.0 87.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 35.6 t70 -64.27 -46.06 85.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.308 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 88.3 mm-40 -61.54 -34.49 75.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.67 99.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 687' ' ' ALA . 80.3 mt -71.58 -28.23 63.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.24 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.9 mm100 -60.29 -38.53 83.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.086 174.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.3 mt -83.68 -46.26 12.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.339 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 687' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 684' ' ' LEU . . . -120.88 102.58 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.44 92.76 7.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.012 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 130.59 21.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.555 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 690' ' ' ASN . . . . . 0.7 ' OD1' ' HG2' ' A' ' 692' ' ' LYS . 41.7 t-20 -83.1 106.98 15.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.673 HG13 HG13 ' A' ' 717' ' ' VAL . 86.0 t -57.04 -43.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.176 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.7 ' HG2' ' OD1' ' A' ' 690' ' ' ASN . 17.6 ptmt -66.74 -30.31 70.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.774 0.321 . . . . 0.0 110.793 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 693' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -66.53 -41.52 88.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.522 177.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.92 -46.12 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 110.137 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.556 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 64.9 t80 -58.7 -45.57 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.221 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 25.4 mmt180 -67.72 -35.52 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -68.86 -39.07 80.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.684 0.278 . . . . 0.0 110.416 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.23 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 77.7 mt -66.41 -38.72 88.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.448 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.2 m-70 -61.64 -36.52 81.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -58.55 -44.13 89.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.029 0.442 . . . . 0.0 110.087 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.46 -22.73 78.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.529 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 74.6 mt -93.86 12.45 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.777 0.322 . . . . 0.0 110.686 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 61.77 25.85 15.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.216 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.73 69.18 1.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.62 -32.14 60.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.836 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 708' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.5 tp60 -65.0 -34.26 78.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -76.24 -42.77 44.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.476 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.88 -41.29 97.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.228 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 42.3 mt -58.12 -34.34 70.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.324 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 712' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 708' ' ' GLN . 66.1 mt -61.96 -41.1 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.38 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 717' ' ' VAL . 64.5 m-20 -77.18 -35.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.598 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.4 mt -66.82 -48.34 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.463 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.696 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.3 m-80 -58.63 -37.33 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.644 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 13.1 tptm -61.41 -43.9 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.344 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.673 HG13 HG13 ' A' ' 691' ' ' VAL . 70.6 t -60.12 -42.22 89.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.758 174.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -62.19 -31.62 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.801 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 65.8 mt -73.82 -45.12 53.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.312 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 720' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 85.7 mt -69.03 -46.13 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.912 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -151.59 97.73 3.08 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 121.214 0.53 . . . . 0.0 110.562 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.3 11.72 2.56 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.179 2.586 . . . . 0.0 112.675 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 40.6 m -96.65 -6.46 36.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.995 0.426 . . . . 0.0 110.354 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 727' ' ' ALA . 12.7 mt -79.91 103.26 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.0 mm -62.64 -33.71 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.427 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 36.9 mt-10 -53.4 -51.76 61.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.166 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.406 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.9 -30.27 70.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.105 -177.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.12 -29.99 68.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 729' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 24.2 mmt -87.61 -20.39 26.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.605 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 15.6 mm-40 -83.04 -45.16 14.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.96 -27.19 67.26 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.668 -176.596 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.504 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.6 pt-20 -71.42 -39.16 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 33.3 tt0 -66.56 -50.66 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.287 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' A' ' 737' ' ' LEU . 96.0 t -60.83 -32.09 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.993 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 91.8 m -63.76 -39.44 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.483 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -75.22 -30.58 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.239 0.542 . . . . 0.0 109.812 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 734' ' ' VAL . 69.6 mt -69.73 -40.73 76.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.184 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.3 tp -68.94 -39.43 79.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.882 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.569 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.657 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.17 0.51 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.21 -44.06 97.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.19 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.037 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.115 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.56 -46.7 89.21 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 37.5 mm-40 -62.89 -43.54 98.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.463 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -59.36 -41.15 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.094 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.04 97.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.682 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -59.4 -37.73 78.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.695 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 31.4 mm-40 -68.76 -39.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.71 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.412 ' SG ' ' HG3' ' A' ' 645' ' ' LYS . 78.8 m -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.38 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.05 -41.68 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.452 . . . . 0.0 110.52 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.59 -36.48 83.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.654 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.18 -9.83 59.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 70.8 26.37 3.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.957 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -97.66 64.44 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.461 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 61.9 m-85 -68.79 -33.57 74.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.284 -171.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -62.21 -35.08 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 641' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 9.2 t70 -89.76 -27.84 19.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 0.0 110.038 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.71 -33.66 68.63 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.23 -46.52 65.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.803 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 644' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 35.7 t -66.26 -45.17 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.324 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 30.0 mmmt -56.68 -45.21 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -72.15 -31.66 66.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.339 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 56.6 m -70.25 -29.07 65.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.89 0.376 . . . . 0.0 110.4 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 644' ' ' SER . 17.5 mm-40 -63.01 -32.67 74.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 0.0 109.839 173.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.657 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.3 m -70.6 -41.33 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.715 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.81 -30.05 68.65 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.394 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -65.45 -24.41 67.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.762 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 30.1 mt -96.52 -47.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.484 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.67 125.97 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.123 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -109.8 7.44 24.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.48 ' HA ' HD22 ' A' ' 686' ' ' LEU . 47.5 mmtm -96.67 13.64 27.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 656' ' ' GLU . . . . . 0.498 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.6 tp10 -105.22 100.82 10.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 10.6 p -60.32 -26.75 66.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.757 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.76 -31.68 72.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.5 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.2 mm -68.96 -50.16 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.14 -42.79 99.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 61.3 p -66.94 -41.34 87.14 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.319 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -73.27 -33.45 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.8 ttp180 -68.06 -39.74 82.94 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.611 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.18 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.315 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 665' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 668' ' ' LEU . 60.8 tp -56.72 -41.59 77.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.51 176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.3 m -64.13 -49.16 73.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.264 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 12.9 m-85 -53.78 -38.81 64.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.5 mt -57.09 -32.98 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.587 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.461 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.3 mptp? -84.8 -23.79 28.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.509 -177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.04 17.09 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 110.318 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 37.9 m 65.13 17.51 11.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.737 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -96.82 61.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.71 -37.11 85.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.42 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.14 -38.22 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.296 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.58 -39.71 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.94 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 676' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -59.72 -41.53 91.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.807 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -53.17 -38.58 62.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.146 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.39 -46.58 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -37.87 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.933 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 57.0 m -61.33 -37.47 83.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.596 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.4 t70 -69.33 -43.48 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.536 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.4 mm100 -59.28 -38.78 81.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.19 81.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.069 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.58 -28.69 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -60.46 -35.58 76.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.059 0.457 . . . . 0.0 109.886 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 32.4 mt -80.1 -50.2 10.66 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.61 104.26 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -80.35 94.37 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.99 22.62 0.91 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -94.2 104.01 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.707 HG13 HG13 ' A' ' 717' ' ' VAL . 62.9 t -52.65 -43.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.597 -172.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.73 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 43.2 mmtm -57.41 -35.35 69.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.513 0.196 . . . . 0.0 111.241 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.68 70.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -66.67 -42.34 86.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.005 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.619 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 31.5 t80 -62.33 -47.15 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.873 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 27.1 mmt180 -65.42 -39.06 91.66 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -63.46 -47.63 81.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.537 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 698' ' ' ALA . . . . . 0.524 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -54.93 -45.65 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.173 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 90.2 mt -61.92 -39.96 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.44 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.43 -53.04 60.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.923 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.483 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 53.3 m-70 -60.38 -35.44 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.15 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.79 -49.02 78.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.036 0.446 . . . . 0.0 110.475 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -66.74 -23.8 72.53 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.684 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.9 mt -89.87 11.06 21.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 0.0 110.644 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.85 25.3 15.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.375 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 706' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 93.2 m-20 -104.16 73.44 1.13 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -76.95 -35.63 57.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.138 -169.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 708' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 712' ' ' ILE . 59.8 tp60 -69.46 -35.15 75.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -69.11 -39.19 79.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.161 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.8 t -67.12 -42.74 83.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.1 mt -55.99 -34.15 65.5 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 712' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 708' ' ' GLN . 78.0 mt -59.51 -45.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.354 . . . . 0.0 110.729 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 717' ' ' VAL . 5.6 m-20 -86.38 -20.41 28.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.376 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.996 ' HB3' HD12 ' A' ' 731' ' ' LEU . 26.0 mt -69.96 -52.26 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.307 173.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.584 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 35.1 m-80 -58.21 -31.89 67.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 110.019 174.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.64 ' O ' HD22 ' A' ' 720' ' ' LEU . 13.3 tptm -62.0 -48.97 77.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.632 177.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.707 HG13 HG13 ' A' ' 691' ' ' VAL . 72.4 t -55.18 -40.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.807 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 731' ' ' LEU . 38.1 mm -61.28 -29.38 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.0 mt -70.5 -58.21 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 720' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -58.27 -58.72 7.22 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.512 0.672 . . . . 0.0 111.24 177.422 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -135.18 89.69 22.96 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.203 -173.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.31 8.77 3.7 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.919 2.413 . . . . 0.0 112.172 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 18.5 m -98.81 7.86 45.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 110.415 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 727' ' ' ALA . 28.6 mt -91.61 106.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.281 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.3 -36.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.409 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 15.2 mm-40 -61.03 -38.85 87.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.851 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -67.82 -42.52 81.36 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 728' ' ' LYS . . . . . 0.541 ' HA ' HD21 ' A' ' 731' ' ' LEU . 4.0 mmmp? -55.5 -32.71 63.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.987 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 21.2 mmt -83.48 -19.12 36.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.029 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.6 mm-40 -84.47 -43.05 14.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.996 HD12 ' HB3' ' A' ' 714' ' ' LEU . 0.0 OUTLIER -63.21 -32.72 74.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.068 -179.133 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 10.9 pt-20 -74.04 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.105 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 35.1 tt0 -64.7 -53.65 44.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 737' ' ' LEU . 85.4 t -62.68 -31.6 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.668 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.4 m -65.68 -36.52 83.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.293 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 34.3 mtm-85 -74.76 -30.84 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 79.5 mt -69.38 -40.09 77.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.178 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.31 -31.26 71.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.576 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.062 175.719 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 37.0 t80 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.098 0.475 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -56.33 -41.73 76.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.297 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -65.85 -57.51 7.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 626' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 648' ' ' GLU . 3.1 mm? -55.64 -41.72 73.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -61.69 -51.44 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.625 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 23.2 mm-40 -65.99 -45.39 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.327 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.77 -39.4 91.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.516 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.74 -45.63 95.36 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.778 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -54.98 -42.51 72.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.545 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.9 mm-40 -65.64 -36.96 85.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.009 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.1 m -66.75 -37.54 84.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.347 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.95 -44.67 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.471 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.61 -35.76 82.06 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.341 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.59 -7.29 52.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 65.95 30.01 9.97 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.685 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -107.61 68.02 0.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 57.1 m-85 -71.16 -30.0 65.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.173 -168.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -65.24 -29.45 70.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -88.41 -31.23 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.996 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.92 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.0 mt -54.36 -45.58 72.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.699 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 23.0 t -58.58 -48.09 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -59.01 -51.72 68.87 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.496 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.29 -32.95 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.821 -175.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 68.8 m -66.84 -30.26 70.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.721 0.296 . . . . 0.0 110.473 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.498 ' HB2' ' HG ' ' A' ' 626' ' ' LEU . 70.6 mm-40 -72.23 -34.91 68.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 174.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 626' ' ' LEU . 73.9 m -57.27 -48.63 78.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.294 175.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.71 -36.99 82.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.228 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 51.0 mtpt -59.92 -27.66 66.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.509 . . . . 0.0 110.569 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.8 mt -91.71 -40.19 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.658 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.454 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 30.9 t30 -149.6 111.82 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.825 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -93.37 6.01 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.733 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -97.56 12.29 33.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.313 -176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.61 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 0.0 111.068 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.2 p -68.72 -20.5 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.782 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 52.0 mm -70.22 -46.88 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.25 -47.14 86.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.046 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 16.9 p -63.87 -34.42 77.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.412 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -73.94 -36.85 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.155 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -64.5 -43.17 94.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.004 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.42 -45.12 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.81 -39.56 74.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.771 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.82 -43.75 52.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -56.26 -40.66 74.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 86.6 mt -56.13 -36.63 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.845 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -73.34 -25.6 60.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.283 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.88 16.81 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 0.0 110.575 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.81 20.7 12.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.866 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.64 65.89 3.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.246 0.546 . . . . 0.0 110.25 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 51.4 m-85 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.023 -176.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.23 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.99 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.85 -42.6 23.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.324 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.39 77.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.538 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.99 -41.52 87.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.764 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.63 -47.33 84.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.085 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -39.42 92.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.241 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.98 -39.51 89.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.063 0.458 . . . . 0.0 110.407 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 15.5 t70 -66.98 -47.25 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.323 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -60.33 -34.12 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.182 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.21 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.03 -29.46 66.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.141 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -63.52 -35.04 79.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.127 0.489 . . . . 0.0 110.376 176.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 46.3 mt -83.77 -45.37 13.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.415 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -127.33 104.27 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.73 89.61 4.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.711 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.64 24.44 0.54 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.884 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -86.0 107.1 17.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.812 HG13 HG13 ' A' ' 717' ' ' VAL . 84.0 t -57.05 -41.05 76.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.747 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.5 -38.76 85.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.79 76.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.702 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -64.99 -52.0 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.977 0.418 . . . . 0.0 110.765 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.6 t80 -58.67 -43.18 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.29 -20.75 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.287 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -70.87 -39.06 73.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 698' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -57.46 -49.77 75.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.111 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.3 mt -59.29 -40.42 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.393 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 700' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -65.18 -29.56 70.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.33 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -79.03 -44.02 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.31 -0.244 . . . . 0.0 110.545 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -56.34 -42.42 77.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.48 -22.81 75.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.429 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.16 12.87 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt 66.45 27.66 9.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.193 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -104.07 84.59 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.647 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 707' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 23.7 m-85 -82.25 -34.82 28.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.652 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -66.0 -36.8 84.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 109.53 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.68 -41.68 71.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.801 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 714' ' ' LEU . 13.6 t -67.26 -34.8 78.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.891 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.19 -34.4 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.219 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.99 -47.65 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 717' ' ' VAL . 72.2 m-20 -73.42 -33.11 64.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.151 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.3 mt -67.79 -51.87 43.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -59.44 -31.73 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.267 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.539 ' O ' HD13 ' A' ' 720' ' ' LEU . 26.8 tptt -63.46 -49.74 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 176.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.812 HG13 HG13 ' A' ' 691' ' ' VAL . 77.3 t -54.94 -37.07 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.464 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 714' ' ' LEU . 38.3 mm -62.98 -28.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.665 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.2 -50.37 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.997 0.427 . . . . 0.0 109.893 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 720' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 716' ' ' LYS . 10.1 mp -56.11 -59.79 4.41 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.934 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -130.5 90.43 41.0 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.276 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.73 5.56 2.85 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.149 2.566 . . . . 0.0 113.239 -177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 13.1 m -101.13 -3.53 29.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.064 0.459 . . . . 0.0 110.432 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.5 mt -80.33 101.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.175 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.09 -40.62 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.2 pt-20 -58.69 -35.35 72.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.394 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.45 -33.81 71.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.021 0.438 . . . . 0.0 110.646 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 728' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 731' ' ' LEU . 97.8 mttt -72.77 -27.46 62.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.337 0.589 . . . . 0.0 109.733 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.26 -19.9 52.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.323 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.1 mm-40 -82.95 -46.31 13.08 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 732' ' ' GLU . 4.6 pp -60.73 -33.2 72.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 -178.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.541 ' N ' HD12 ' A' ' 731' ' ' LEU . 7.4 pt-20 -72.38 -38.95 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 9.0 tp10 -67.45 -50.44 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.293 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.451 ' HA ' HD12 ' A' ' 737' ' ' LEU . 88.5 t -61.21 -33.05 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.095 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 60.0 m -65.32 -38.7 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.507 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.51 HH21 ' CD ' ' A' ' 733' ' ' GLU . 46.7 mtm-85 -71.39 -34.15 70.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 83.4 mt -68.06 -44.2 76.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.591 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 738' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 707' ' ' TYR . 53.0 tp -68.13 -29.41 68.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.678 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.108 179.127 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.7 t80 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.154 0.502 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 624' ' ' LYS . 1.2 mptp? -68.01 -43.81 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.29 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.06 75.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.677 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.09 -44.87 83.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.659 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.88 -56.48 21.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.004 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.7 mm-40 -59.76 -44.76 93.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.626 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.48 -36.53 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.629 0.252 . . . . 0.0 110.334 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -63.23 -40.83 99.52 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.592 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -59.46 -38.11 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 110.253 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 26.5 mm-40 -66.44 -31.49 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.588 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 56.1 m -72.46 -39.3 67.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.114 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 630' ' ' GLY . 93.9 t -62.2 -46.35 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.878 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.66 -25.26 62.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.006 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.26 -4.86 54.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.26 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 63.59 25.9 14.49 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.93 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.82 65.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.18 -29.26 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.06 -170.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.38 -32.44 73.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 641' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 26.5 t70 -82.71 -33.5 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.059 0.457 . . . . 0.0 109.924 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 642' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -60.4 -38.62 84.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.807 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.408 HD11 HD12 ' A' ' 670' ' ' LEU . 91.3 mt -54.18 -48.2 71.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.805 177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 33.5 t -60.74 -37.91 83.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.613 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 31.3 mmmt -67.89 -51.48 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 34.2 m-85 -66.55 -32.17 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.593 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 49.6 m -68.49 -27.29 66.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.07 -23.31 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.2 m -66.51 -39.36 88.63 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.76 -10.82 60.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.757 0.789 . . . . 0.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -78.11 -26.43 48.01 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.912 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 40.7 mt -99.57 -51.46 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.26 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.508 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 33.7 t30 -139.86 132.84 29.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -173.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -122.2 18.23 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.401 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -105.68 10.82 32.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.312 0.577 . . . . 0.0 110.332 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.37 99.39 9.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.661 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 657' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 9.2 p -62.15 -25.4 67.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.71 72.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.344 . . . . 0.0 111.329 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 48.6 mm -66.35 -46.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.113 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -67.43 -45.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.334 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 25.8 p -63.62 -41.66 98.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.692 0.282 . . . . 0.0 111.383 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -75.78 -32.62 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -67.45 -38.95 85.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.66 -43.28 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.666 175.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.45 -42.4 82.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.9 -40.35 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.889 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 14.4 m-85 -65.0 -40.36 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.382 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -57.65 -40.08 78.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.886 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.4 -32.55 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 643' ' ' LEU . 67.8 mt -91.01 12.53 19.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 12.7 t 63.86 26.04 14.18 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.276 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -103.96 77.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 109.565 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -71.94 -42.4 66.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.5 -172.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.31 -37.52 75.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.504 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -68.32 -50.48 53.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.132 0.491 . . . . 0.0 109.912 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 676' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -60.76 -35.07 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.498 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.495 ' HB2' ' HB1' ' A' ' 700' ' ' ALA . 29.1 tttt -67.53 -47.2 70.59 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 -177.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 678' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 681' ' ' ASP . 47.2 mt-30 -68.59 -34.15 75.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.5 -46.35 89.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.574 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.65 -32.07 73.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.993 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 678' ' ' GLN . 28.1 m-20 -60.51 -45.62 93.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.541 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 81.0 mm-40 -64.69 -39.5 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.754 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.44 93.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.49 -27.16 63.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.531 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.09 -20.31 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.4 mt -97.44 -43.27 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -122.81 103.78 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.991 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.13 89.15 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.104 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.55 16.13 1.35 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.054 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -75.21 105.24 6.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.629 HG13 HG13 ' A' ' 717' ' ' VAL . 88.7 t -59.01 -39.53 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.101 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.96 -32.2 73.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.617 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.88 66.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.66 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -66.01 -49.13 68.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.088 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.536 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 78.5 t80 -58.33 -43.9 88.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.513 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -80.36 -26.89 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.563 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -69.41 -36.93 77.19 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 698' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -60.56 -47.47 86.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.754 174.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 88.6 mt -59.59 -39.21 83.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 700' ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' ' 677' ' ' LYS . . . -67.71 -50.9 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.477 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 38.8 m-70 -55.6 -42.61 75.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 110.144 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.84 -46.02 81.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.118 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.07 -21.02 73.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.444 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.43 6.54 48.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.362 . . . . 0.0 110.462 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 65.4 mttp 65.36 24.22 12.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -94.69 66.65 3.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -75.57 -33.8 60.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.382 -168.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.89 -33.59 76.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.372 0.606 . . . . 0.0 109.639 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 709' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 709' ' ' LYS . 29.9 mmmt -77.08 -43.19 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 20.0 t -62.31 -41.03 98.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.467 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.69 -31.35 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.699 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.81 -38.07 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.979 0.418 . . . . 0.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 717' ' ' VAL . 84.3 m-20 -79.08 -37.42 38.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.603 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.6 mt -65.06 -46.28 81.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.367 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 24.0 m-80 -62.22 -37.71 86.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.82 -44.51 90.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.404 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.629 HG13 HG13 ' A' ' 691' ' ' VAL . 76.2 t -60.65 -37.57 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.699 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 714' ' ' LEU . 42.6 mm -66.48 -29.45 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.054 0.454 . . . . 0.0 110.547 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 53.2 mt -76.84 -43.3 36.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.31 -48.04 58.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.815 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -144.35 91.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.111 0.481 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.88 7.64 2.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.008 2.472 . . . . 0.0 112.642 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.5 m -93.15 -5.95 49.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 727' ' ' ALA . 25.1 mt -84.02 103.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.151 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.1 -33.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.232 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 32.9 mt-10 -54.07 -46.85 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.784 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.99 -27.06 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 -177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.17 -31.88 70.82 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.291 0.567 . . . . 0.0 110.06 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.7 mmt -85.35 -27.88 25.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.851 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 734' ' ' VAL . 16.8 mm-40 -77.52 -45.01 26.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.341 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.3 OUTLIER -68.57 -30.09 68.78 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.083 -176.105 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.64 -35.81 75.54 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.92 -50.75 39.04 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.088 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.562 ' HA ' HD12 ' A' ' 737' ' ' LEU . 86.4 t -58.46 -34.77 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 98.6 m -60.92 -41.32 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -76.47 -36.24 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.607 . . . . 0.0 109.598 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 734' ' ' VAL . 68.9 mt -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.747 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.18 -33.67 76.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.773 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.862 179.247 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.023 0.439 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -66.24 -41.54 89.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.645 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' ALA . . . . . 0.419 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -65.29 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.664 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.75 -38.05 62.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' LYS . . . . . 0.412 ' HD3' HD11 ' A' ' 659' ' ' ILE . 29.8 ttpp -71.8 -36.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 629' ' ' GLU . 10.1 pt-20 -66.23 -43.32 86.96 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.735 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 628' ' ' GLU . 8.9 pt-20 -74.18 -28.85 61.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.45 -44.69 97.25 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.38 -36.1 73.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 110.446 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.3 mm-40 -66.35 -42.45 88.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.422 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 81.3 m -64.26 -36.92 85.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 630' ' ' GLY . 88.0 t -61.93 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.92 -24.47 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.845 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.5 -10.43 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.435 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 71.54 22.15 4.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.871 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -104.99 73.15 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.689 0.757 . . . . 0.0 109.11 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 669' ' ' LYS . 77.8 m-85 -74.99 -32.05 61.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.688 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -58.89 -34.59 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.251 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 641' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 6.6 m-20 -86.22 -32.1 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.589 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.34 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 98.6 mt -52.5 -48.15 66.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 22.2 t -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.746 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 71.5 mmtt -58.13 -52.18 66.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.326 0.584 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.402 ' HB3' HG23 ' A' ' 659' ' ' ILE . 36.3 m-85 -67.99 -28.36 67.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.415 -178.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.3 m -65.96 -35.98 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.959 0.409 . . . . 0.0 110.335 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.01 -30.6 63.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.219 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.7 m -62.06 -42.64 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.263 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.5 -32.13 72.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.29 -29.56 70.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.37 0.605 . . . . 0.0 110.049 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.1 mt -90.36 -47.81 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.558 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -146.77 125.64 12.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -108.78 1.81 21.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.416 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.8 mmtm -95.44 16.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.44 . . . . 0.0 110.949 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -105.53 108.07 19.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.468 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 15.7 p -67.21 -23.52 65.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.192 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.53 80.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.412 HD11 ' HD3' ' A' ' 627' ' ' LYS . 48.5 mm -64.5 -53.21 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.653 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 63.2 m-85 -59.08 -47.11 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.556 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.6 p -60.61 -35.16 75.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -75.57 -39.06 58.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.117 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -61.7 -41.44 97.61 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.83 -46.56 84.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.56 -40.97 84.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 110.29 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.493 ' HA ' ' CD2' ' A' ' 639' ' ' TYR . 84.7 m -65.01 -49.13 71.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.573 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 12.2 m-85 -56.11 -41.57 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.33 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.2 mt -55.36 -38.02 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.511 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 33.4 mmtp -77.28 -23.04 51.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.555 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.48 11.07 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.814 0.34 . . . . 0.0 110.341 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.95 20.98 12.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 672' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 50.4 mt-30 -90.05 65.54 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.323 0.582 . . . . 0.0 109.484 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 673' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 41.6 m-85 -69.13 -36.33 77.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.367 -172.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.76 -45.62 85.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.63 -36.66 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.341 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.34 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.999 0.428 . . . . 0.0 110.786 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.7 ttmt -56.43 -48.93 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.71 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -68.14 -38.42 82.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.496 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -64.78 -43.36 93.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.822 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.997 0.427 . . . . 0.0 110.122 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 16.1 t70 -63.89 -48.72 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.305 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 79.5 mm-40 -60.13 -35.26 74.89 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.22 83.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.747 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.13 -29.63 60.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 72.5 mm-40 -60.63 -35.36 75.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.298 0.57 . . . . 0.0 109.766 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 655' ' ' LYS . 30.5 mt -88.46 -38.47 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.101 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.78 104.14 7.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.58 88.92 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.539 . . . . 0.0 110.076 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.77 20.09 0.7 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.762 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -86.74 107.13 18.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 717' ' ' VAL . 50.2 t -58.42 -41.46 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.609 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.12 -36.4 77.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -44.49 68.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.57 -51.9 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.475 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.9 t80 -59.52 -41.63 90.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.329 -175.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.41 -25.71 38.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.565 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -71.31 -36.37 71.58 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.65 98.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.496 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 92.2 mt -64.94 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 700' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -63.31 -50.88 68.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.492 177.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.507 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 49.3 m-70 -61.06 -39.04 88.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.922 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.71 -38.64 72.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.817 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.76 -29.77 58.86 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.527 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.59 7.84 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 110.99 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 65.42 33.62 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 706' ' ' ASN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 709' ' ' LYS . 42.4 m-80 -106.62 65.91 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -70.99 -32.03 68.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 708' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 712' ' ' ILE . 58.0 tp60 -66.28 -40.04 89.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.161 0.505 . . . . 0.0 109.667 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 709' ' ' LYS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 706' ' ' ASN . 29.0 mmtp -69.3 -41.47 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.0 t -62.02 -42.83 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.116 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.13 -34.38 71.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.496 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 712' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.6 mt -62.81 -35.85 72.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.012 0.434 . . . . 0.0 110.474 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 717' ' ' VAL . 63.9 m-20 -81.51 -36.52 29.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.0 mt -66.36 -48.13 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.526 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.42 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.1 m-80 -61.9 -31.24 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 176.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.634 ' O ' HD22 ' A' ' 720' ' ' LEU . 17.7 tptm -66.08 -45.16 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.355 176.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 691' ' ' VAL . 71.4 t -55.72 -38.6 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.704 175.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.8 mm -62.04 -25.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.628 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.0 mt -75.57 -55.53 5.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.738 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 720' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -57.52 -59.02 5.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.377 0.608 . . . . 0.0 111.256 176.015 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.36 95.08 8.31 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.193 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 8.41 3.85 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.032 2.488 . . . . 0.0 112.729 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 5.4 t -96.01 -7.54 36.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.423 0.63 . . . . 0.0 109.583 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 727' ' ' ALA . 21.4 mt -74.06 108.15 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.882 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.6 mm -60.68 -38.67 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.333 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -56.88 -45.88 82.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.96 -33.75 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.808 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -72.99 -27.81 62.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.318 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 729' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.9 mmt -86.41 -22.65 26.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.95 -52.13 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.626 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.2 -25.3 67.64 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.108 -173.341 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.506 ' N ' HD13 ' A' ' 731' ' ' LEU . 6.2 pt-20 -72.46 -36.67 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.969 0.414 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.492 ' CD ' HH21 ' A' ' 736' ' ' ARG . 8.8 tp10 -79.68 -43.64 22.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.411 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 737' ' ' LEU . 94.0 t -60.88 -32.56 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 -34.51 78.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 736' ' ' ARG . . . . . 0.492 HH21 ' CD ' ' A' ' 733' ' ' GLU . 55.7 mtm-85 -79.73 -37.49 35.44 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 734' ' ' VAL . 83.4 mt -60.84 -43.18 98.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.424 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.92 -33.35 75.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.763 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.726 -179.443 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 623' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.159 0.505 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -64.57 -54.86 25.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.513 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.56 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.331 0.395 . . . . 0.0 111.319 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 70.0 mt -62.44 -44.95 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.18 -44.83 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.164 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.57 -31.33 66.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.43 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.7 -38.39 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.753 0.311 . . . . 0.0 110.244 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.15 84.89 Favored Glycine 0 N--CA 1.454 -0.141 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.048 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.941 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.1 -29.62 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 64.9 m -61.5 -39.46 91.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.45 -42.75 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.28 -34.18 77.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.29 -5.75 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.308 0.575 . . . . 0.0 110.851 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.76 35.14 6.99 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.174 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -106.22 65.03 0.68 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.496 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 78.1 m-85 -69.62 -27.8 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.188 -170.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 640' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 670' ' ' LEU . 54.0 mttm -60.54 -36.63 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.155 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.88 -38.41 25.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.61 -36.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.209 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 670' ' ' LEU . 78.8 mt -52.77 -48.78 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 176.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 644' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 23.0 t -64.29 -43.38 94.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.472 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -59.82 -48.37 81.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' ' 659' ' ' ILE . 32.0 m-85 -69.65 -29.96 67.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.1 m -69.79 -28.6 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.393 . . . . 0.0 110.29 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 644' ' ' SER . 21.2 mm-40 -69.13 -36.54 77.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.803 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 649' ' ' CYS . . . . . . . . . . . . . 77.0 m -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.24 -37.97 75.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.084 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.03 -24.28 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.763 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 29.9 mt -92.65 -41.08 12.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.349 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -152.85 113.75 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.434 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -96.65 6.03 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.94 0.4 . . . . 0.0 110.398 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 655' ' ' LYS . . . . . 0.421 ' C ' HD13 ' A' ' 686' ' ' LEU . 47.8 mmtm -92.77 -0.34 57.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.727 -178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -94.56 112.5 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.182 0.515 . . . . 0.0 111.063 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.0 p -66.72 -28.78 68.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.633 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.31 79.26 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 646' ' ' TYR . 50.3 mm -61.87 -48.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.461 ' HB2' ' HB2' ' A' ' 683' ' ' ALA . 77.9 m-85 -60.51 -44.52 95.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.179 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 48.7 p -64.99 -31.85 73.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.94 0.4 . . . . 0.0 111.41 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -78.75 -36.39 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.708 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -65.2 -41.59 94.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.651 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.78 -45.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.249 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.64 -40.28 78.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.092 0.472 . . . . 0.0 110.644 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.73 -41.45 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.552 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -61.24 -40.9 95.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.214 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 90.8 mt -57.37 -44.23 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.496 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 14.2 mptt -70.02 -24.85 63.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.832 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 670' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 643' ' ' LEU . 32.0 mt -96.55 12.94 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.254 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 62.87 28.67 16.47 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.073 0.463 . . . . 0.0 111.372 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.11 60.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.672 0.748 . . . . 0.0 109.659 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.29 -35.25 79.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.052 -173.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.62 -38.68 88.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -77.26 -35.37 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.476 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.64 93.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.404 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.1 ttmt -54.58 -47.64 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.627 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.94 -42.15 97.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.374 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 62.0 m -63.68 -40.33 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.7 t70 -65.62 -39.44 91.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.059 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.546 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 24.4 mm-40 -63.78 -37.38 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.582 175.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 683' ' ' ALA . . . . . 0.461 ' HB2' ' HB2' ' A' ' 660' ' ' TYR . . . -64.97 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.2 mt -70.74 -28.19 64.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.351 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.5 mt-30 -64.36 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.185 0.516 . . . . 0.0 109.876 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.3 mt -81.33 -44.71 17.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.35 104.04 7.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.71 92.57 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.395 0.617 . . . . 0.0 109.901 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.09 15.13 0.71 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.186 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -84.84 109.55 18.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 109.597 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.852 HG13 HG13 ' A' ' 717' ' ' VAL . 98.5 t -55.5 -42.28 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.702 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 67.6 mttm -62.01 -39.58 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.14 83.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -64.07 -47.82 78.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.208 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.672 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.6 t80 -61.36 -45.93 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.127 -176.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -65.41 -39.17 91.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.476 0.179 . . . . 0.0 110.855 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 47.3 ttp180 -68.34 -39.67 81.84 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.481 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.685 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 78.3 mt -66.46 -38.28 87.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.44 70.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.532 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.8 m-70 -59.59 -38.2 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.958 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -57.38 -41.76 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.379 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.66 -22.65 74.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 56.3 mt -94.15 10.57 33.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.981 0.42 . . . . 0.0 110.246 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.09 34.17 23.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.149 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 706' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 92.3 m-20 -105.17 67.66 0.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.314 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.423 -168.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 708' ' ' GLN . . . . . 0.448 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.0 tp60 -66.07 -36.64 83.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.498 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.5 t -63.41 -42.41 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 45.9 mt -57.92 -34.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.442 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 712' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 708' ' ' GLN . 79.7 mt -58.69 -46.55 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.608 177.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.3 m-20 -76.53 -32.65 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.587 ' O ' HG12 ' A' ' 718' ' ' ILE . 95.9 mt -67.61 -48.4 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.414 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.5 m-80 -60.82 -26.87 67.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.637 175.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.609 ' O ' HD22 ' A' ' 720' ' ' LEU . 15.2 tptm -72.47 -44.89 61.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.476 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.852 HG13 HG13 ' A' ' 691' ' ' VAL . 72.4 t -57.05 -37.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.2 mm -62.65 -25.39 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.623 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 46.6 mt -73.43 -58.58 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.687 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 720' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.4 OUTLIER -58.61 -59.1 5.92 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 111.29 177.319 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -130.24 89.75 43.89 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.987 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.97 3.93 6.18 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.048 2.499 . . . . 0.0 113.395 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.3 m -99.24 -0.11 42.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.68 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.0 mt -80.68 102.74 6.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 729' ' ' MET . 48.5 mm -60.5 -38.01 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.638 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 726' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.0 mm-40 -57.05 -41.47 78.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.837 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.91 -32.24 70.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.722 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -71.21 -27.36 63.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.29 0.567 . . . . 0.0 110.079 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 729' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.6 mmt -85.81 -25.16 26.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.433 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 18.0 mm-40 -75.01 -49.23 20.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.797 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 714' ' ' LEU . 1.3 pt? -67.57 -26.29 66.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.884 -175.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.94 -37.31 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.731 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 31.2 tt0 -66.64 -50.62 62.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -61.94 -30.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.214 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 88.8 m -64.08 -38.68 91.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.258 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 58.2 mtm-85 -75.64 -29.67 59.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 109.699 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 734' ' ' VAL . 79.1 mt -69.64 -37.94 76.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.91 174.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.06 -31.87 70.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.395 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.547 176.27 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 89.0 t80 . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -64.67 -43.11 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.125 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -63.0 -45.88 90.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.512 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.69 -44.77 95.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.471 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.68 -48.67 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.513 . . . . 0.0 110.694 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.41 -21.71 48.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.328 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.03 -32.0 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.0 -35.98 92.53 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.5 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.87 -41.14 86.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 110.156 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.15 -38.18 89.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.717 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.18 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.427 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -40.44 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.679 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -65.31 -33.47 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.659 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.45 -0.76 47.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.741 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp 67.31 28.98 7.77 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.67 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 638' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 641' ' ' ASP . 47.4 t30 -104.12 76.9 1.38 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.058 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.496 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 49.4 m-85 -77.89 -34.62 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.297 -170.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.41 -35.05 78.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.77 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 641' ' ' ASP . . . . . 0.437 ' HB2' ' ND2' ' A' ' 638' ' ' ASN . 1.1 m-20 -89.25 -25.25 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.665 0.269 . . . . 0.0 110.672 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.92 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.224 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 90.8 mt -54.16 -45.7 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.539 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 644' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 14.9 m -63.87 -40.0 95.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.801 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.5 -48.25 82.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.559 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -70.29 -26.6 63.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.209 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 19.2 t -68.5 -33.87 74.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.5 mm-40 -64.1 -34.89 79.07 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.976 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 61.1 m -66.45 -38.57 87.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.723 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.73 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.273 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -75.69 -31.73 59.84 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.988 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 50.3 mt -98.15 -53.07 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.094 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.482 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 8.8 t30 -140.58 110.35 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 111.633 -171.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -102.61 20.22 17.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.864 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -95.72 -11.31 27.24 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.268 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 656' ' ' GLU . . . . . 0.422 ' CG ' HG12 ' A' ' 659' ' ' ILE . 9.3 tp10 -85.68 98.24 10.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.657 -177.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.308 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.4 71.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.428 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 656' ' ' GLU . 48.0 mm -65.47 -45.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.19 0.519 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 97.3 m-85 -64.95 -44.68 88.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.854 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -65.39 -33.36 75.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -72.65 -39.37 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.863 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -64.49 -46.67 81.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.625 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.704 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.39 -46.98 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.788 176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 666' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 639' ' ' TYR . 75.3 m -65.68 -45.02 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -56.26 -33.62 65.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.655 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.2 mt -58.8 -33.64 70.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 669' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 669' ' ' LYS . 0.4 OUTLIER -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.125 -177.203 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.58 7.74 25.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.095 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 22.5 t 64.81 23.97 12.75 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.375 0.607 . . . . 0.0 110.876 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -100.89 55.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.526 0.679 . . . . 0.0 109.794 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -62.68 -31.33 72.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.526 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.93 -38.95 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.837 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.73 -33.28 25.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.675 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.69 82.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.958 0.408 . . . . 0.0 110.736 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -56.22 -44.8 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.725 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.14 -39.72 63.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.297 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -61.58 -44.64 96.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.7 m -60.54 -34.61 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 27.4 t70 -67.03 -48.84 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 88.1 mm-40 -59.69 -34.16 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.42 96.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.629 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.74 -26.14 61.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 80.6 mm-40 -65.42 -37.25 86.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.236 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 40.3 mt -80.31 -42.63 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.343 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.65 103.79 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.315 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.46 89.78 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.374 0.607 . . . . 0.0 110.214 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 136.59 32.57 0.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.861 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.625 HG13 HG13 ' A' ' 717' ' ' VAL . 61.5 t -58.64 -37.5 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.556 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.15 -36.64 78.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.7 -42.92 70.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.297 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.405 ' CE2' ' HG2' ' A' ' 716' ' ' LYS . 67.3 m-85 -65.74 -49.77 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.381 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.511 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 85.7 t80 -60.1 -41.01 91.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.309 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.39 -22.88 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.593 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.468 ' HD2' ' OD2' ' A' ' 713' ' ' ASP . 23.2 ttm180 -70.15 -39.33 75.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 170.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.34 91.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.4 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -65.08 -37.03 86.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.04 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -61.79 -38.99 90.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.599 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -57.18 -41.0 78.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.431 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.91 -24.76 76.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.331 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 53.7 mt -94.09 10.35 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.18 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.28 28.13 17.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.325 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -96.35 70.42 2.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 707' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 737' ' ' LEU . 27.0 m-85 -77.32 -28.46 53.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.271 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.3 -39.4 85.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -68.94 -47.09 66.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.668 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.7 t -59.35 -42.3 91.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.475 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.59 -42.79 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.994 0.426 . . . . 0.0 110.302 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.468 ' OD2' ' HD2' ' A' ' 697' ' ' ARG . 25.6 m-20 -77.34 -33.62 55.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' ' 731' ' ' LEU . 98.9 mt -68.31 -47.04 68.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.544 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 42.2 m-80 -62.16 -29.83 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.656 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 716' ' ' LYS . . . . . 0.405 ' HG2' ' CE2' ' A' ' 694' ' ' PHE . 13.4 tppt? -66.77 -43.94 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.625 HG13 HG13 ' A' ' 691' ' ' VAL . 80.5 t -58.23 -36.15 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.379 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.2 mm -65.4 -29.34 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 110.662 178.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.6 mt -76.73 -39.85 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.293 0.568 . . . . 0.0 110.504 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 80.1 mt -76.86 -44.82 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.687 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -145.77 94.05 5.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.013 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.25 3.92 5.32 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.981 2.454 . . . . 0.0 113.309 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 35.7 m -98.73 -1.54 40.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.94 0.4 . . . . 0.0 110.536 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.495 HG22 ' H ' ' A' ' 727' ' ' ALA . 17.4 mt -78.87 99.67 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.502 . . . . 0.0 110.082 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.71 -35.0 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.457 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.79 -42.84 76.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.822 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.495 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -71.3 -33.2 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.4 -30.36 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.5 mmt -86.03 -25.76 25.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.152 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.13 -44.66 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.548 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.4 OUTLIER -68.07 -26.7 65.98 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.765 -176.504 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.4 pt-20 -73.31 -37.9 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 733' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 6.9 tp10 -66.05 -51.19 60.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.826 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 737' ' ' LEU . 89.3 t -62.39 -33.63 60.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.522 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 96.2 m -63.47 -37.22 86.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -77.82 -38.77 45.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 734' ' ' VAL . 91.4 mt -58.36 -42.52 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 174.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.06 -30.84 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.834 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.467 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 73.6 t80 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.24 0.543 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 624' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 59.9 mttp -71.57 -41.27 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.784 -176.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.8 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.41 . . . . 0.0 110.629 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.17 -41.27 92.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.701 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -64.52 -49.32 71.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.42 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 46.6 mt-10 -60.0 -52.61 64.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.419 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.41 -29.87 68.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.656 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 630' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.45 -41.92 99.74 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.47 -40.14 85.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.054 0.454 . . . . 0.0 110.128 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 632' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.3 mm-40 -62.53 -39.14 92.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.98 -41.48 95.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.303 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 630' ' ' GLY . 92.3 t -59.9 -47.47 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.756 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -67.32 -31.86 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.073 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.07 3.81 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.298 0.571 . . . . 0.0 110.496 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm 62.28 29.34 17.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.302 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -108.65 73.03 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.65 0.738 . . . . 0.0 109.073 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.534 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -74.63 -23.09 58.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.516 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -59.31 -45.92 89.99 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.773 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -75.59 -36.22 60.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.43 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.658 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -52.18 -50.91 60.92 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 644' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 648' ' ' GLU . 12.9 m -64.02 -46.05 86.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.879 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.2 -46.49 90.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.519 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 662' ' ' ASN . 27.3 m-85 -67.71 -31.96 72.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.403 . . . . 0.0 110.79 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 647' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 53.5 m -71.38 -23.61 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.11 0.481 . . . . 0.0 110.437 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 644' ' ' SER . 45.1 mt-10 -76.45 -28.41 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.063 173.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 84.1 m -65.61 -45.24 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.163 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.76 -28.46 68.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.313 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 651' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 647' ' ' SER . 65.3 mttp -61.86 -26.55 68.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 110.605 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.29 -46.74 12.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.778 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.472 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 34.2 t30 -142.16 122.91 14.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.614 -178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -105.21 6.48 33.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -100.42 16.43 24.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.999 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -105.9 98.35 8.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.056 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 657' ' ' CYS . . . . . 0.477 ' HB2' ' HB1' ' A' ' 683' ' ' ALA . 29.8 p -59.89 -25.99 65.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.703 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.89 -28.79 70.29 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.568 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.0 mm -71.18 -44.09 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 110.153 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' TYR . . . . . 0.473 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.5 m-85 -63.29 -44.64 94.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.17 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.5 p -66.07 -32.66 74.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 662' ' ' ASN . . . . . 0.414 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 75.5 m-20 -74.59 -38.59 62.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.074 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -64.09 -42.64 96.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.6 -45.7 81.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.42 -42.16 77.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.9 m -68.03 -46.82 70.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.669 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 667' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 17.8 m-85 -56.36 -38.23 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.458 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 93.6 mt -56.4 -36.12 68.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.9 -37.4 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.74 14.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.593 0.235 . . . . 0.0 111.155 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 9.8 t 66.17 21.04 11.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.066 174.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 672' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 76.1 mt-30 -100.79 65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.401 0.62 . . . . 0.0 109.941 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 673' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 65.2 m-85 -69.42 -32.18 70.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.954 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.53 -42.58 78.26 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 675' ' ' GLU . . . . . 0.56 ' HA ' ' NE2' ' A' ' 678' ' ' GLN . 11.6 mm-40 -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 676' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -60.58 -43.38 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.194 178.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -57.74 -42.39 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 678' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' A' ' 675' ' ' GLU . 37.0 mt-30 -59.28 -46.47 88.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.995 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 679' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.6 OUTLIER -63.2 -38.38 90.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 62.1 m -57.37 -49.25 76.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -65.17 -33.47 76.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.563 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -60.57 -27.39 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.211 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 683' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 657' ' ' CYS . . . -80.88 -26.93 36.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.286 0.565 . . . . 0.0 109.763 -176.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 684' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' A' ' 694' ' ' PHE . 4.5 mm? -73.34 -31.5 64.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.558 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.62 -34.93 78.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.136 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.0 mt -84.59 -44.54 13.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.424 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.76 104.34 7.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.87 90.57 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.182 0.515 . . . . 0.0 110.158 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.46 21.57 1.03 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.09 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.59 105.5 11.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 110.27 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 717' ' ' VAL . 87.3 t -58.25 -38.17 67.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.229 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 692' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 76.0 mmtt -56.65 -35.42 68.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.441 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -77.59 -38.13 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.456 -176.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 694' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 684' ' ' LEU . 60.7 m-85 -66.44 -40.57 89.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 110.035 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.543 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 60.1 t80 -60.94 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.5 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 696' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.8 mmt180 -66.17 -46.05 78.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.486 ' HD2' ' OD1' ' A' ' 713' ' ' ASP . 19.2 ttm180 -58.57 -41.64 86.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.75 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.85 75.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 80.0 mt -62.42 -37.55 86.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.229 0.537 . . . . 0.0 110.209 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 700' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -68.7 -27.43 65.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.439 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -80.75 -39.84 26.25 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.123 -0.36 . . . . 0.0 110.128 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.832 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.55 -20.81 74.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.947 -0.645 . . . . 0.0 112.851 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 60.3 mt -94.93 6.6 48.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 64.33 28.35 13.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.021 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -98.7 64.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -73.12 -30.83 63.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.491 -171.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.07 -32.18 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.627 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -81.83 -42.3 19.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.789 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.3 t -61.3 -40.58 94.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.233 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.3 -32.69 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.448 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.33 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.974 0.416 . . . . 0.0 110.428 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.486 ' OD1' ' HD2' ' A' ' 697' ' ' ARG . 38.4 m-20 -79.38 -36.11 39.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.7 mt -64.36 -46.57 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.246 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.641 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 19.0 m-80 -60.13 -38.72 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.89 -42.86 90.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.289 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 691' ' ' VAL . 74.2 t -59.57 -41.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.636 175.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -64.0 -33.26 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 110.746 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.8 mt -73.96 -39.85 63.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.03 -47.12 21.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.712 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -142.92 88.72 8.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.005 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.6 5.54 4.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.844 2.363 . . . . 0.0 113.299 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 22.3 m -96.93 -0.06 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.222 0.534 . . . . 0.0 110.206 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 727' ' ' ALA . 19.7 mt -82.27 106.25 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.25 -33.91 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.558 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -53.57 -49.36 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.7 -29.41 67.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.03 -178.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -72.48 -30.05 64.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.34 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.48 -28.62 23.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -77.19 -47.2 20.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.886 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -25.46 66.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.863 -174.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.604 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.0 pt-20 -77.09 -29.85 55.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 109.71 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.18 -46.22 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.094 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.0 t -59.94 -34.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.224 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 52.9 m -66.26 -35.31 80.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.525 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -72.05 -41.15 67.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 734' ' ' VAL . 49.3 mt -59.32 -40.3 85.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.752 175.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.4 -35.08 78.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.086 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.342 -179.22 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 623' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 84.2 t80 . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 624' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 30.1 mtpp -61.31 -46.83 88.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.14 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 625' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -59.09 -49.32 78.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.13 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.68 -41.38 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.111 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -58.91 -41.09 86.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 38.8 mt-10 -73.34 -48.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.694 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 629' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 11.1 pt-20 -70.54 -26.59 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.841 -177.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.6 -37.12 88.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.72 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.74 -34.99 79.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.108 0.48 . . . . 0.0 110.295 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.307 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.38 -40.44 90.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.784 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.21 -42.49 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.002 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -73.89 -24.43 59.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.44 . . . . 0.0 110.712 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.98 -7.07 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.028 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 67.27 25.55 8.8 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.391 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -107.88 69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.113 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 639' ' ' TYR . . . . . 0.486 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 91.2 m-85 -70.64 -30.83 67.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.972 -172.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -66.39 -25.87 66.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.66 -36.24 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.893 0.377 . . . . 0.0 110.127 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.58 70.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.296 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 643' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 92.8 mt -54.02 -50.89 65.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.417 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 644' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 7.1 m -58.99 -45.37 90.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.45 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.96 -55.92 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' TYR . . . . . 0.435 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 24.4 m-85 -67.63 -32.92 73.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.71 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -67.08 -33.13 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.813 0.339 . . . . 0.0 110.681 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 648' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 644' ' ' SER . 12.3 mm-40 -72.63 -25.19 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 649' ' ' CYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 82.0 m -67.28 -36.8 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.99 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.99 -11.72 61.08 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 121.466 0.65 . . . . 0.0 111.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -76.39 -26.13 55.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.343 0.592 . . . . 0.0 109.755 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.67 -51.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.167 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' ASN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 41.0 t30 -139.25 128.77 24.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -174.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -118.88 16.89 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.082 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.16 10.75 37.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 0.0 110.365 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.79 100.77 10.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.849 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 29.1 p -62.02 -26.11 68.05 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.24 88.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.97 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 659' ' ' ILE . . . . . 0.683 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 49.8 mm -59.0 -34.96 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -74.56 -43.27 56.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.908 0.385 . . . . 0.0 110.913 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 14.9 p -67.54 -38.84 84.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -82.02 -24.49 35.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.66 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 663' ' ' ARG . . . . . 0.683 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -69.0 -41.33 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' ALA . . . . . 0.541 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.71 -43.67 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.912 176.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.84 -40.85 81.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.04 0.447 . . . . 0.0 110.496 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 68.6 m -67.24 -45.4 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.37 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -58.28 -37.18 74.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.321 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -60.42 -31.61 70.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -79.46 -32.06 42.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.191 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.78 16.74 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.65 0.262 . . . . 0.0 110.812 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 48.6 t 57.52 39.81 27.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.382 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -110.4 67.53 0.65 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.338 0.589 . . . . 0.0 109.613 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -65.94 -39.75 90.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.612 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.96 -37.21 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.311 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -72.35 -51.07 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.279 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.77 -35.6 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.005 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 677' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 701' ' ' HIS . 26.4 tttt -68.4 -39.64 81.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.707 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.03 -33.14 61.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.699 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.26 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.729 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 680' ' ' CYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 74.3 m -63.33 -31.64 72.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 681' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 11.5 t70 -65.15 -44.64 87.94 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 682' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.8 mm100 -59.4 -39.76 84.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.438 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.29 95.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.959 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.41 -32.49 71.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 685' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -59.33 -35.13 73.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 686' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 28.2 mt -88.69 -40.99 12.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.752 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.79 103.18 7.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.49 95.31 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.374 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 125.85 19.24 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.06 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -82.84 105.18 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 717' ' ' VAL . 97.8 t -60.32 -38.21 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.157 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.0 -32.04 70.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.5 54.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.762 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -64.85 -50.14 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 695' ' ' TYR . . . . . 0.53 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 79.9 t80 -59.15 -47.26 85.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.639 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.8 -23.22 49.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.428 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 697' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 34.5 ttp180 -72.57 -37.65 68.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.66 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.513 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 699' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 71.1 mt -65.2 -39.05 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.111 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.36 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.705 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 701' ' ' HIS . . . . . 0.476 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 36.2 m-70 -55.57 -43.94 76.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -56.13 -44.74 79.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.687 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.74 75.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.336 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 69.5 mt -93.75 7.75 43.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.462 . . . . 0.0 110.038 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 62.84 31.31 16.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.907 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -100.0 72.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -76.14 -37.28 58.2 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.362 -169.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 708' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.1 tp60 -65.43 -36.9 85.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.36 -43.0 64.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.804 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.2 t -61.49 -40.77 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 711' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 735' ' ' THR . 49.6 mt -61.07 -32.86 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.625 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 712' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 708' ' ' GLN . 68.4 mt -63.43 -42.25 95.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.89 0.376 . . . . 0.0 110.197 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 713' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.7 m-20 -73.36 -39.44 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.541 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.1 mt -65.05 -47.73 76.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 715' ' ' ASN . . . . . 0.622 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 14.1 m-80 -59.37 -36.73 76.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.683 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -62.8 -43.21 99.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.667 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 717' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 691' ' ' VAL . 83.7 t -59.97 -37.71 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.254 176.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 718' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 714' ' ' LEU . 48.2 mm -64.28 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.657 177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 719' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 61.8 mt -78.84 -46.41 18.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.114 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.08 -44.23 60.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.87 88.64 8.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.84 6.87 3.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.859 2.373 . . . . 0.0 113.035 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.2 m -99.14 -2.0 38.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 724' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 727' ' ' ALA . 27.0 mt -80.63 103.69 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 729' ' ' MET . 47.4 mm -61.84 -35.48 68.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.55 -46.86 70.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.699 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 727' ' ' ALA . . . . . 0.503 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.24 -32.79 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -67.12 -31.5 71.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.258 0.551 . . . . 0.0 110.192 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 729' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 23.8 mmt -86.39 -23.43 26.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.051 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.95 -44.77 16.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 731' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.9 OUTLIER -68.4 -29.64 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.986 -0.685 . . . . 0.0 110.552 -177.758 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 732' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -71.02 -27.93 64.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.017 0.437 . . . . 0.0 109.826 178.324 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.62 -51.85 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.406 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 734' ' ' VAL . . . . . 0.513 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.9 t -62.49 -32.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 735' ' ' THR . . . . . 0.407 ' HA ' HD11 ' A' ' 711' ' ' LEU . 56.4 m -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 110.387 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -80.98 -31.85 34.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 737' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.1 mt -64.72 -45.93 84.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.149 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.03 -28.55 69.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.369 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.031 0.444 . . . . 0.0 111.373 -179.452 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.5 120.25 7.81 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.878 2.385 . . . . 0.0 112.253 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.55 74.61 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 37.3 ttm -75.74 121.26 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.273 0.558 . . . . 0.0 110.959 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.418 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 42.0 p -114.54 -173.84 2.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.059 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.8 t80 -56.01 -42.72 76.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.122 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -68.78 -41.42 78.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.709 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.418 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -62.15 -44.11 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.55 -38.73 91.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.21 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.245 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.29 -50.55 71.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.51 -34.32 77.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.919 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -60.82 -42.7 99.63 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.486 173.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.25 -35.78 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 110.554 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 45.7 m -60.09 -36.49 77.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.767 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 630' ' ' GLY . 94.5 t -63.71 -45.07 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -71.75 -27.8 63.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 110.828 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.98 -6.81 58.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.287 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 66.97 23.98 9.7 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.16 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -107.2 70.94 0.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.415 ' HB3' ' HA ' ' A' ' 666' ' ' CYS . 40.3 m-85 -73.1 -26.43 61.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.181 -169.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -65.77 -30.01 70.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.85 -34.09 30.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -58.05 -38.95 77.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.0 mt -52.52 -48.46 66.02 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.517 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.3 m -59.42 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.989 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -58.11 -51.3 70.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.3 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 53.1 m -71.14 -28.56 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.249 -0.282 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.23 -31.09 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.038 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.9 m -62.44 -36.12 81.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.11 174.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 89.4 mt -72.62 -10.84 60.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.396 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -82.24 -27.61 32.36 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.201 0.524 . . . . 0.0 109.816 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.7 mt -92.46 -50.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.143 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -149.72 124.29 9.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -111.21 18.82 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.318 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -101.68 11.82 38.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.058 0.456 . . . . 0.0 110.734 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' GLU . . . . . 0.504 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.0 tp10 -104.25 98.48 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.492 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.38 -21.23 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.895 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.77 79.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.898 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.504 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.5 mm -66.05 -48.57 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.89 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 72.6 m-85 -64.06 -47.22 81.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.653 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.3 p -61.83 -38.62 88.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.695 0.283 . . . . 0.0 111.484 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -80.13 -29.97 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.55 0.214 . . . . 0.0 111.082 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.6 ttp180 -68.56 -39.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.4 -40.92 92.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.65 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 669' ' ' LYS . 54.3 tp -58.83 -43.68 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 639' ' ' TYR . 63.1 m -62.3 -38.53 89.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.623 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 14.8 m-85 -63.98 -42.85 97.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.0 mt -57.94 -35.56 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 665' ' ' LEU . 31.2 mmmt -76.75 -19.59 57.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.66 12.67 35.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.347 . . . . 0.0 110.412 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.4 m 63.69 21.05 12.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.651 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 53.8 mt-30 -94.01 72.89 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 109.701 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.448 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 45.2 m-85 -71.57 -39.66 70.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.216 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.65 -37.84 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.938 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.11 -47.41 65.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.211 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.642 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.499 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -56.66 -44.66 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -71.19 -40.07 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.999 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -62.17 -40.42 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.692 176.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.4 -36.44 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.813 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.2 t70 -66.76 -42.42 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.112 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 84.4 mm-40 -59.12 -35.37 73.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.75 82.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.894 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 52.3 mt -70.72 -29.21 65.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 80.0 mt-30 -61.74 -30.78 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.403 . . . . 0.0 110.336 174.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 41.9 mt -86.92 -45.9 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.287 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.71 103.45 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.954 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.22 90.93 4.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 139.41 12.16 0.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.773 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.4 106.28 10.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 717' ' ' VAL . 63.8 t -59.7 -36.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.432 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.62 -37.91 79.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.56 71.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.986 -177.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -67.3 -50.85 58.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.053 0.454 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.587 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 88.0 t80 -59.1 -45.87 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.261 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -77.26 -22.95 51.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -72.17 -39.83 68.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.512 175.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 68.4 mt -63.53 -43.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.826 175.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 700' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -61.25 -50.19 74.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.903 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.499 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 42.0 m-70 -59.64 -42.23 92.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.94 -43.34 86.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.389 . . . . 0.0 110.262 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.83 74.36 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.517 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.12 9.24 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.047 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 66.21 23.11 10.92 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.212 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.58 78.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -79.68 -35.78 38.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.335 -170.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 708' ' ' GLN . . . . . 0.471 ' O ' HG13 ' A' ' 712' ' ' ILE . 57.8 tp60 -65.08 -42.06 94.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.73 -45.42 89.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.173 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 32.0 t -61.94 -41.47 98.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.078 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.94 -33.47 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.291 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 712' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 708' ' ' GLN . 77.9 mt -62.67 -39.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 717' ' ' VAL . 44.1 m-20 -78.85 -35.49 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 89.2 mt -66.59 -49.15 67.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.677 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 31.8 m-80 -57.89 -38.45 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.712 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -61.3 -40.67 95.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.493 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 691' ' ' VAL . 72.8 t -61.63 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.0 mm -63.82 -31.17 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 44.2 mt -74.89 -39.89 61.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 110.551 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.66 -47.96 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.222 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -141.93 86.44 10.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.637 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.15 10.04 2.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.757 2.304 . . . . 0.0 112.307 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 41.2 t -94.41 -6.53 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.723 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.9 mt -82.19 105.02 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.341 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.35 -36.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.602 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 10.0 mm-40 -56.95 -41.36 78.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.669 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.39 -32.31 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -67.85 -25.57 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.316 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.2 mmt -85.64 -24.0 27.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.394 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 13.1 mm-40 -79.73 -49.13 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -175.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -68.07 -21.83 64.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.916 -175.245 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 7.6 pt-20 -77.64 -34.51 53.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -75.1 -50.03 17.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.897 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.519 ' HA ' HD12 ' A' ' 737' ' ' LEU . 98.6 t -62.19 -31.28 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.376 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 63.5 m -66.47 -32.66 74.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.848 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 20.9 mtm180 -74.11 -38.32 63.87 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 734' ' ' VAL . 73.2 mt -61.3 -43.63 98.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.258 174.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.04 -31.52 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.979 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -79.39 -8.77 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 67.0 mt -93.61 164.0 13.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.114 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -102.02 -6.3 23.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.544 0.688 . . . . 0.0 109.54 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.244 0.814 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.698 177.768 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.48 145.46 9.35 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.758 2.305 . . . . 0.0 112.786 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 46.2 t60 55.33 71.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.876 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 61.5 mtp -119.36 131.87 55.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 43.5 p -88.13 176.23 7.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.3 t80 -54.72 -42.9 72.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.8 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.79 -40.44 95.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.386 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -76.07 -40.93 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.36 -35.18 80.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.303 . . . . 0.0 110.474 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.94 -51.59 68.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.53 -28.72 67.24 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -57.74 -55.97 27.92 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -57.88 -41.25 94.07 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.976 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.855 0.36 . . . . 0.0 110.768 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.07 -42.34 97.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.907 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -64.29 -36.5 84.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.427 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 630' ' ' GLY . 82.5 t -62.77 -45.43 98.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.079 0.466 . . . . 0.0 110.709 177.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -77.87 -11.87 59.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.811 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.96 -7.5 51.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.122 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 67.46 27.26 8.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.767 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -111.8 68.97 0.68 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.452 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -71.25 -28.94 64.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.7 -169.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -61.36 -37.32 82.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 0.0 110.571 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 19.6 t70 -79.15 -32.86 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.0 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.794 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.1 mt -56.44 -43.27 79.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 174.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 20.2 m -62.93 -32.66 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.151 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 32.4 mmtp -85.88 -45.92 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.223 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.76 -36.63 84.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -66.22 -30.89 71.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 651' ' ' LYS . 63.0 mm-40 -74.07 -28.36 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.9 m -61.05 -48.45 81.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.057 0.456 . . . . 0.0 110.202 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 653' ' ' ASN . 90.6 mt -60.86 -32.82 72.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.308 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 6.5 mtpm? -62.88 -25.03 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.31 0.576 . . . . 0.0 110.441 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.4 mt -89.35 -52.61 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.895 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 650' ' ' LEU . 41.3 t30 -135.44 119.15 17.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.615 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.07 4.13 41.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.568 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.44 14.22 30.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.429 -177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 656' ' ' GLU . . . . . 0.434 ' HG3' HG12 ' A' ' 659' ' ' ILE . 8.9 tp10 -105.43 102.59 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.674 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 16.9 p -63.64 -27.91 69.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.877 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.07 71.65 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 120.772 0.32 . . . . 0.0 111.374 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.434 HG12 ' HG3' ' A' ' 656' ' ' GLU . 49.8 mm -69.2 -44.71 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.387 . . . . 0.0 110.09 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 69.1 m-85 -63.39 -45.6 90.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.424 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 2.0 p -61.99 -34.14 75.62 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 111.099 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -75.25 -40.36 58.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -62.49 -41.85 99.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -54.99 -46.67 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.81 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.04 -40.93 91.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.5 m -65.19 -48.9 71.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.642 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.42 -36.16 68.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.9 mt -60.52 -31.07 70.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 74.9 mmtt -84.59 -23.33 29.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.136 -177.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.61 6.68 47.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 63.0 m 64.89 24.66 12.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.707 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -96.54 62.86 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.27 -36.11 83.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.109 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.36 -38.5 87.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.397 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.69 -39.43 67.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.62 96.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.505 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 28.9 ttmt -53.95 -43.56 69.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.584 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -68.04 -45.42 73.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.236 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -60.27 -42.31 95.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.186 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.8 m -60.8 -36.76 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.848 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 30.0 t70 -70.97 -41.84 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 82.8 mm-40 -57.25 -38.17 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.328 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.52 87.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.843 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 65.7 mt -71.48 -31.66 67.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.373 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.0 mt-30 -62.47 -35.11 78.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.0 110.387 176.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.4 mt -85.51 -39.5 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -123.43 104.5 9.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 111.331 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.51 93.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.314 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 121.9 23.74 2.43 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.959 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.83 100.46 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.627 HG13 HG13 ' A' ' 717' ' ' VAL . 98.8 t -54.16 -40.04 45.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.396 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -59.37 -35.83 74.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.871 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.8 67.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.15 -47.84 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.079 0.466 . . . . 0.0 110.347 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.574 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.9 t80 -60.58 -41.62 95.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.063 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -68.74 -35.99 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -67.19 -39.58 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 110.103 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 176.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.3 mt -65.96 -36.33 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 110.247 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.05 53.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.505 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 55.7 m-70 -60.44 -37.27 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.44 -44.93 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.72 -23.51 77.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.757 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -91.95 8.17 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.674 0.273 . . . . 0.0 110.789 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 61.64 29.25 18.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.101 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -100.95 63.18 1.01 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -72.0 -28.37 63.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.852 -171.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -65.99 -33.28 75.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 0.0 109.603 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -79.6 -42.28 25.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.504 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -61.61 -40.93 96.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.178 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.81 -31.24 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.35 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.77 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 0.0 110.182 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 717' ' ' VAL . 35.7 m-20 -77.77 -34.67 52.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.686 -176.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.602 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.6 mt -66.03 -47.68 73.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.335 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.637 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.7 m-80 -60.83 -36.76 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.481 174.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -60.68 -44.89 95.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.627 HG13 HG13 ' A' ' 691' ' ' VAL . 70.0 t -60.45 -36.75 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.915 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.602 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.5 mm -66.27 -30.89 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.519 . . . . 0.0 110.616 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 54.8 mt -75.41 -32.31 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 0.0 110.745 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.16 -49.47 8.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.343 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 721' ' ' ASP . . . . . 0.429 ' OD2' HG21 ' A' ' 691' ' ' VAL . 3.4 m-20 -137.5 86.71 18.71 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.693 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.44 5.82 3.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.741 2.294 . . . . 0.0 112.43 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.8 p -96.07 5.81 50.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.159 0.504 . . . . 0.0 110.829 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.518 HG22 ' H ' ' A' ' 727' ' ' ALA . 20.9 mt -93.46 100.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.95 -38.25 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -52.69 -46.2 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.518 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -74.09 -27.58 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 728' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 27.2 mtpp -78.14 -21.27 50.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.279 0.561 . . . . 0.0 110.194 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 729' ' ' MET . . . . . 0.612 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.4 mmt -87.06 -35.58 18.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.362 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.89 -51.47 58.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.898 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.906 -174.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -77.29 -28.41 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 0.0 109.994 -179.571 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.454 ' HA ' ' NH2' ' A' ' 736' ' ' ARG . 36.1 tt0 -78.15 -47.11 18.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.85 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 737' ' ' LEU . 78.3 t -60.53 -32.67 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.374 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.8 m -62.59 -38.72 91.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.703 0.287 . . . . 0.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.612 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 44.4 mtm105 -75.66 -38.1 59.07 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 734' ' ' VAL . 84.0 mt -59.32 -42.49 91.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.475 174.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 63.9 tp -66.15 -27.92 68.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.876 177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.09 -4.18 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.672 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 57.8 mt -80.72 160.51 24.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.165 0.507 . . . . 0.0 110.95 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.86 -29.66 8.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.605 178.602 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.97 113.83 3.38 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.726 2.284 . . . . 0.0 112.141 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 621' ' ' MET . 38.0 m80 -92.34 110.02 21.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 621' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 620' ' ' HIS . 83.9 mtp 71.51 121.39 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.891 0.745 . . . . 0.0 110.985 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 48.2 p -88.81 -176.34 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.789 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.491 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 88.9 t80 -54.22 -40.46 67.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.412 . . . . 0.0 110.388 176.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 624' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 27.4 mtpp -61.38 -51.15 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.652 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.44 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.299 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.4 HD23 ' HE2' ' A' ' 621' ' ' MET . 69.4 mt -64.34 -39.26 93.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.499 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.05 -50.96 62.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.377 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 72.3 mt-10 -59.01 -58.38 8.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.56 -27.4 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.31 . . . . 0.0 110.752 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -61.26 -46.76 93.8 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.287 173.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -63.6 -36.55 84.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.788 0.328 . . . . 0.0 110.456 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -47.87 83.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.41 -40.15 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.0 t -58.55 -48.9 84.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.341 . . . . 0.0 110.605 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 637' ' ' LYS . 32.4 t70 -78.59 -9.03 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 637' ' ' LYS . . . . . 0.463 ' HB2' ' NZ ' ' A' ' 637' ' ' LYS . 8.5 mtmp? 70.9 30.81 2.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.292 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -107.96 67.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.21 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 81.4 m-85 -70.25 -27.18 64.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.72 -173.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.762 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.96 -32.37 51.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.182 0.515 . . . . 0.0 110.22 -178.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.95 82.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.509 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.5 mt -53.25 -45.75 68.91 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.648 175.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 10.4 m -57.56 -53.88 53.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.592 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.92 -48.6 72.9 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.863 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.3 m-85 -69.05 -33.99 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.667 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 45.5 m -67.01 -34.04 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 0.0 110.238 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.92 -31.46 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.491 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 71.9 m -60.42 -46.52 89.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.29 -35.58 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.069 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.41 -21.14 66.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.22 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 26.4 mt -99.6 -39.92 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 39.9 t30 -149.21 117.67 6.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -97.74 -0.41 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.493 ' C ' HD13 ' A' ' 686' ' ' LEU . 20.6 tptm -88.43 -11.4 46.12 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 121.182 0.515 . . . . 0.0 111.407 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' GLU . . . . . 0.414 ' CG ' HG12 ' A' ' 659' ' ' ILE . 5.5 tp10 -79.95 94.6 5.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.659 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 30.6 p -60.73 -26.62 67.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.691 0.281 . . . . 0.0 111.371 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.28 65.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.739 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.414 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.4 mm -79.8 -44.48 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.03 0.443 . . . . 0.0 109.832 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 683' ' ' ALA . 96.0 m-85 -62.83 -42.98 99.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.001 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 19.0 p -61.56 -38.54 87.85 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.282 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -76.39 -35.26 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -61.37 -45.33 94.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.52 -48.77 74.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.986 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 57.0 tp -56.75 -43.25 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 177.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 81.8 m -65.26 -46.18 81.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.747 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.28 -36.04 74.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.108 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.3 mt -60.16 -31.02 69.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.988 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.98 -30.03 35.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.278 -176.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.67 17.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.5 m 59.49 35.32 22.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.516 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -109.06 62.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.314 0.578 . . . . 0.0 109.506 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -64.65 -36.38 84.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.719 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.17 -37.4 82.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.365 0.603 . . . . 0.0 110.097 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.0 -42.46 60.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.286 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.87 94.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.467 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.9 ttmt -50.2 -51.34 44.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.676 -175.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -39.28 94.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.24 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 60.4 m -62.21 -42.3 99.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.1 t70 -64.56 -43.57 93.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.562 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 22.2 mm-40 -58.38 -38.48 77.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.739 176.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 683' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 660' ' ' TYR . . . -64.09 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 176.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.49 -29.23 64.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.245 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 17.9 mm-40 -64.2 -37.62 88.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.887 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.0 mt -82.71 -40.99 19.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.705 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 104.31 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.473 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.3 89.19 5.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.14 21.35 1.08 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.994 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -79.46 103.39 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.67 HG13 HG13 ' A' ' 717' ' ' VAL . 84.5 t -55.75 -41.04 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.476 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 30.9 mmtp -65.42 -34.66 78.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 693' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.98 -46.45 81.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.22 0.534 . . . . 0.0 110.058 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 40.6 t80 -62.87 -40.96 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -176.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -66.96 -40.28 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.599 0.237 . . . . 0.0 110.741 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 39.4 ttp180 -67.76 -40.51 84.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.704 0.288 . . . . 0.0 110.415 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -57.59 -44.38 85.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.037 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 89.0 mt -63.99 -39.15 93.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.32 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.789 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.467 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 68.9 m-70 -58.31 -41.56 84.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -56.06 -43.88 78.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.446 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.35 -29.71 73.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.334 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.57 6.58 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.612 0.244 . . . . 0.0 110.908 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 66.92 20.59 10.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.006 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -93.57 66.34 3.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -72.5 -31.67 65.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.997 -171.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -67.16 -35.32 79.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.191 0.519 . . . . 0.0 109.814 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -75.57 -38.65 59.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.386 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -65.08 -42.1 94.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.161 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.321 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.38 -40.54 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.865 0.364 . . . . 0.0 110.578 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -83.68 -32.94 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.372 . . . . 0.0 111.046 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.63 -48.35 67.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.634 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.462 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.0 m-80 -60.1 -29.48 68.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.546 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -68.41 -47.54 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.67 HG13 HG13 ' A' ' 691' ' ' VAL . 81.8 t -58.75 -35.87 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.673 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.5 mm -60.65 -28.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.918 178.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 56.4 mt -86.57 -36.55 18.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.977 0.418 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.9 mt -74.33 -40.92 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.97 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.77 93.98 3.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.052 0.453 . . . . 0.0 110.301 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.13 8.12 2.99 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 112.586 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 1.2 m -90.12 -6.95 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.264 0.554 . . . . 0.0 109.662 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 727' ' ' ALA . 14.2 mt -85.6 98.37 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.308 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.35 -33.79 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.198 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 16.7 mm-40 -55.29 -41.27 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.664 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 728' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 731' ' ' LEU . 51.9 mtpt -74.75 -28.31 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.911 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.02 -22.64 36.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.617 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 60.0 mm-40 -79.31 -55.98 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.42 -26.01 67.78 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.163 -173.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.54 ' N ' HD13 ' A' ' 731' ' ' LEU . 7.8 pt-20 -70.26 -37.09 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.201 0.524 . . . . 0.0 109.781 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 5.3 tp10 -80.38 -44.37 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 737' ' ' LEU . 93.0 t -61.23 -35.96 69.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.199 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 45.8 m -65.76 -32.37 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 43.6 mtm-85 -79.83 -33.0 40.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.331 0.586 . . . . 0.0 109.489 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.4 mt -66.08 -41.42 90.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.234 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.53 -31.26 72.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.716 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -83.87 -3.78 58.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.126 0.489 . . . . 0.0 111.063 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -89.86 150.23 22.3 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 741' ' ' LYS . . . . . 0.482 ' N ' HD12 ' A' ' 740' ' ' LEU . 14.5 mmmm -75.98 -14.56 60.23 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -168.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 742' ' ' ASP . . . . . 0.459 ' H ' ' CD1' ' A' ' 740' ' ' LEU . 32.0 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.083 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.26 -47.98 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.624 2.216 . . . . 0.0 111.795 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -127.97 149.66 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 94.3 mmm -84.38 75.69 10.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.751 0.786 . . . . 0.0 110.599 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 72.3 p -93.89 -174.53 3.46 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.637 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.596 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 77.5 t80 -54.78 -41.22 70.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.16 0.505 . . . . 0.0 110.547 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -66.72 -38.99 87.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.9 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -76.08 -40.69 52.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.25 -36.71 82.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.309 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.35 -51.76 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.724 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 625' ' ' ALA . 12.3 pt-20 -68.87 -38.5 79.76 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.263 -175.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.87 -35.48 74.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.321 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.06 -39.59 97.32 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.11 -36.28 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.9 mm-40 -63.14 -35.8 81.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.79 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 57.9 m -63.61 -48.25 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.65 -42.0 94.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 120.977 0.417 . . . . 0.0 110.603 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.69 -37.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.791 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.98 -6.13 56.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm 68.68 32.45 4.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.651 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.41 81.55 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.994 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 53.0 m-85 -80.91 -31.55 35.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.466 -168.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -64.41 -29.86 70.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.36 -38.04 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.191 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -55.76 -36.75 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.098 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.5 mt -52.01 -51.68 55.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.866 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 36.0 t -63.94 -40.76 97.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -65.33 -43.78 89.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -71.53 -28.4 63.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.639 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.2 t -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.525 . . . . 0.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.3 mm-40 -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.335 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.1 m -67.78 -46.13 72.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.408 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.24 -32.07 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.534 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -62.16 -24.43 67.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.842 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 25.8 mt -97.03 -47.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -142.95 123.07 13.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.538 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.78 1.63 27.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -106.21 24.36 12.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.279 0.561 . . . . 0.0 110.97 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' GLU . . . . . 0.471 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.9 tp10 -105.08 102.66 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 27.3 p -63.17 -24.79 68.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.42 -34.32 76.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.118 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -69.63 -46.89 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.216 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.671 ' CE1' ' HG2' ' A' ' 682' ' ' GLN . 86.8 m-85 -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.642 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.7 p -59.78 -43.77 94.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -74.48 -33.62 62.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.9 ttp180 -65.92 -43.7 87.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.9 -40.47 93.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.82 -39.78 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.544 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 62.7 m -68.62 -45.78 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.663 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.93 -38.05 72.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.551 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.3 mt -56.28 -40.72 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -71.61 -35.01 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.49 11.4 8.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.753 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 82.6 m 61.25 31.32 19.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.639 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -106.49 64.16 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.502 0.667 . . . . 0.0 109.384 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -66.61 -32.77 74.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.244 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.03 -40.38 89.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.77 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.94 -36.98 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.395 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.45 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -55.75 -48.97 74.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -67.5 -33.79 75.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.597 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.766 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 66.0 m -60.7 -39.49 88.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.1 t70 -63.91 -43.19 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.72 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.671 ' HG2' ' CE1' ' A' ' 660' ' ' TYR . 5.9 tp-100 -61.99 -47.82 83.09 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 123.38 0.672 . . . . 0.0 110.58 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.78 -38.91 64.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.074 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.89 -28.32 60.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.917 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -66.49 -31.47 72.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 109.93 174.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 20.9 mt -87.44 -43.69 11.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.258 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -119.43 103.85 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.241 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.88 87.33 4.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.903 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 129.69 26.17 0.88 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.27 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -83.1 105.91 14.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.637 HG13 HG13 ' A' ' 717' ' ' VAL . 88.6 t -56.56 -42.81 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.866 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.52 -35.16 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -69.09 -39.97 78.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.844 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.213 0.53 . . . . 0.0 110.177 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.411 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.8 t80 -59.21 -43.86 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.434 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.77 -25.71 44.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.263 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -68.07 -39.84 82.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.757 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 86.3 mt -63.36 -38.89 92.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.161 0.505 . . . . 0.0 110.255 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.77 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -61.45 -39.25 90.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -56.07 -45.66 79.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.127 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.27 -21.39 75.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.79 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.94 9.61 41.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 707' ' ' TYR . 29.6 mtpp 62.9 24.0 14.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.684 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.95 69.29 3.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 707' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 705' ' ' LYS . 37.2 m-85 -76.1 -31.8 58.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.635 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -64.33 -31.28 72.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.177 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -83.37 -42.97 16.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.734 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -60.43 -41.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.345 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.17 -31.6 70.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -44.07 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.899 0.38 . . . . 0.0 110.226 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 717' ' ' VAL . 46.0 m-20 -74.31 -35.97 63.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.708 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.7 mt -65.7 -46.84 77.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.534 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.558 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 21.2 m-80 -61.21 -35.93 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.637 HG13 HG13 ' A' ' 691' ' ' VAL . 84.3 t -60.33 -36.4 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.643 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.6 mm -64.24 -29.15 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.521 . . . . 0.0 110.574 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.6 mt -79.77 -38.41 33.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.73 -45.96 27.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.137 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.83 89.93 7.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.77 8.43 3.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.91 2.407 . . . . 0.0 113.155 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -100.07 0.23 40.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.21 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.492 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.6 mt -83.88 103.01 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.179 0.514 . . . . 0.0 110.446 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.1 -33.8 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.352 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 31.9 mt-10 -55.08 -49.38 71.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.754 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.492 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.91 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -69.09 -31.75 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.548 . . . . 0.0 110.281 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.2 mmt -85.83 -27.86 24.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.81 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -75.43 -48.36 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.631 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.5 OUTLIER -66.06 -30.0 70.44 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.007 -174.287 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.1 pt-20 -68.91 -39.35 79.73 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 7.8 tp10 -69.94 -46.19 65.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.47 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.52 ' HA ' HD12 ' A' ' 737' ' ' LEU . 80.5 t -62.61 -24.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.746 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.3 m -65.61 -36.02 82.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.601 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -40.2 63.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 734' ' ' VAL . 82.6 mt -59.35 -42.59 91.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.772 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.3 tp -66.21 -40.7 90.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.963 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -69.29 -29.29 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 740' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.53 169.76 16.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.257 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -131.79 -7.81 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.671 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.572 178.827 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -82.97 109.7 1.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.644 2.229 . . . . 0.0 112.942 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -85.66 125.36 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 83.1 mtp -106.9 129.83 54.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.653 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 42.7 p -82.06 175.39 10.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.152 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 83.4 t80 -56.17 -44.13 79.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.06 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.03 -37.69 88.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -69.65 -53.13 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.796 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.26 -38.63 84.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -64.56 -50.43 67.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.035 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.34 -34.08 74.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.78 -39.66 87.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.811 0.338 . . . . 0.0 110.273 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -60.79 -42.26 99.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.815 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.12 -43.77 87.4 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.02 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.67 -36.31 83.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.311 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 62.7 m -62.79 -44.77 95.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 0.0 109.972 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 639' ' ' TYR . 88.4 t -60.43 -46.81 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.435 0.636 . . . . 0.0 110.205 175.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.68 -22.56 66.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.541 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -92.51 2.39 56.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.172 0.51 . . . . 0.0 110.326 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' LYS . . . . . 0.448 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 35.7 mtmm 65.85 25.77 11.21 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.955 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -109.5 69.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 83.4 m-85 -73.69 -31.91 63.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.083 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.78 -30.61 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.05 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -86.59 -35.12 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.431 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.689 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -54.73 -44.05 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.828 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 35.5 t -69.44 -42.45 74.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -61.62 -47.0 87.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.43 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.73 -29.69 67.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 44.3 t -61.26 -39.82 91.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.31 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.9 -31.7 70.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.548 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.0 m -63.52 -45.39 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.251 175.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.81 -37.46 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -62.94 -28.28 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 110.506 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 33.7 mt -86.99 -44.48 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.391 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -147.48 122.3 9.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.885 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -104.72 11.54 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.707 0.289 . . . . 0.0 110.556 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.473 ' HA ' HD22 ' A' ' 686' ' ' LEU . 35.0 mmtp -104.96 13.01 31.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.467 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.24 105.48 15.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.998 0.427 . . . . 0.0 110.39 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.4 p -66.85 -22.98 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.91 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.04 70.44 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.996 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.25 -52.76 24.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.947 0.403 . . . . 0.0 110.023 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 80.6 m-85 -57.99 -47.56 82.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.38 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 15.5 p -59.9 -38.69 83.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.427 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.24 -32.89 56.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -62.93 -42.59 99.85 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.52 -43.48 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.824 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.47 -38.94 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.237 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.93 -47.15 69.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 16.2 m-85 -56.96 -38.68 73.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.6 mt -57.5 -33.39 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.37 -34.71 54.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.24 12.73 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.852 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' CYS . . . . . 0.438 ' HG ' ' HE1' ' A' ' 673' ' ' PHE . 20.5 t 64.63 32.18 11.59 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.355 0.598 . . . . 0.0 111.123 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 672' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 79.9 mt-30 -107.7 67.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.47 0.653 . . . . 0.0 109.416 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.438 ' HE1' ' HG ' ' A' ' 671' ' ' CYS . 44.5 m-85 -70.56 -37.31 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.031 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.24 -41.22 98.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 109.944 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.36 -47.24 74.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.195 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -56.33 -42.56 77.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.711 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.534 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -56.36 -46.02 80.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.753 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.67 -37.64 82.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.165 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -64.94 -43.57 92.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.563 177.202 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.39 -40.45 94.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.67 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.0 t70 -62.45 -49.73 74.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 178.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 86.6 mm-40 -58.24 -34.06 70.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.44 91.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 69.3 mt -72.63 -30.58 64.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.72 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 11.9 mm-40 -63.75 -31.03 72.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.856 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.6 mt -84.57 -49.95 8.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.995 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -124.24 103.35 8.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.231 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.03 87.56 6.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.921 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.0 14.63 0.48 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.042 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -79.81 108.91 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.645 HG13 HG13 ' A' ' 717' ' ' VAL . 98.5 t -57.27 -41.98 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.731 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.51 -33.52 73.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.666 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.69 70.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.44 -51.44 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.48 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 71.5 t80 -58.91 -45.62 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.515 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -77.43 -24.12 50.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.301 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -72.27 -38.49 68.83 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 698' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -60.42 -41.4 93.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.472 174.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -64.46 -35.64 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -66.53 -51.78 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.534 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.1 m-70 -57.99 -41.64 83.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.706 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.63 -40.25 78.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.888 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.45 -27.11 73.12 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.233 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.81 4.1 50.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.416 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 66.62 28.47 9.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.023 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.86 73.49 1.99 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -78.78 -33.94 45.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.329 -169.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 -64.5 -35.37 80.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -73.07 -45.83 55.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.929 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 26.5 t -60.73 -40.92 94.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.422 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.15 -30.68 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.689 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.2 -43.25 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.416 ' HB2' ' HB2' ' A' ' 698' ' ' ALA . 70.0 m-20 -75.06 -36.42 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.7 mt -64.63 -47.95 76.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.382 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.617 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 22.1 m-80 -61.32 -32.25 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.099 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.33 -44.23 83.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.645 HG13 HG13 ' A' ' 691' ' ' VAL . 79.0 t -57.45 -39.65 69.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.439 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.8 mm -62.31 -27.71 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.985 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 60.2 mt -81.07 -43.11 19.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.69 -42.93 39.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.32 89.18 5.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.418 . . . . 0.0 110.038 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.34 3.35 6.36 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.528 2.152 . . . . 0.0 112.596 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 15.2 t -89.12 -9.96 49.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.249 0.547 . . . . 0.0 109.694 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.447 HG22 ' H ' ' A' ' 727' ' ' ALA . 14.0 mt -76.44 103.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.121 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.5 mm -65.14 -32.06 56.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 14.1 mm-40 -56.77 -44.75 82.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.205 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.447 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -73.36 -27.8 61.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.926 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -69.85 -26.34 64.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.455 0.645 . . . . 0.0 109.997 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 729' ' ' MET . . . . . 0.428 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.3 mmt -87.09 -33.63 19.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.11 176.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 23.6 mm-40 -69.41 -49.5 54.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.03 -30.1 71.2 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.877 -175.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 0.0 OUTLIER -74.79 -36.97 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.657 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.567 ' HG3' ' NH2' ' A' ' 736' ' ' ARG . 38.7 tt0 -71.98 -46.36 57.6 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' ' 737' ' ' LEU . 91.8 t -63.57 -31.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.847 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.3 m -65.87 -30.05 70.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.63 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 14.1 mtm180 -74.84 -46.02 39.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 734' ' ' VAL . 72.7 mt -54.98 -47.57 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.592 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.64 -39.84 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.227 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -73.61 -23.89 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.534 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 85.7 mt -75.67 -179.56 4.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.596 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 -48.38 4.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 109.79 178.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.501 177.601 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.65 90.37 0.93 Allowed 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.92 2.414 . . . . 0.0 112.871 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 57.0 45.95 20.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.621 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 88.1 mtp -78.56 128.05 32.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.7 p -76.57 166.42 23.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 653' ' ' ASN . 72.8 t80 -52.42 -44.37 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.094 0.473 . . . . 0.0 110.127 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 624' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 628' ' ' GLU . 98.7 mttt -63.35 -53.05 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.171 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.98 76.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 111.259 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.18 -45.19 85.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.27 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -66.97 -41.46 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.022 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 624' ' ' LYS . 10.0 mm-40 -62.38 -50.03 73.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.333 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.99 -27.17 66.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.933 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -59.19 -47.64 89.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.557 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -62.14 -33.64 74.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.33 -45.03 95.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.634 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.7 m -60.76 -40.58 93.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.253 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 630' ' ' GLY . 90.2 t -63.19 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.94 -33.23 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.959 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.94 -6.36 50.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 0.0 110.302 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 65.47 29.9 11.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.692 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -101.59 64.15 0.98 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.495 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 61.7 m-85 -68.32 -32.92 73.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.105 -170.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -61.37 -28.73 69.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.14 -37.83 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.35 -33.96 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.427 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.6 mt -52.29 -51.31 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.913 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 644' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 93.8 p -65.18 -39.11 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.678 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -61.86 -44.65 96.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 662' ' ' ASN . 33.3 m-85 -74.7 -28.08 60.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.426 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 43.5 m -67.44 -31.63 71.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.146 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 644' ' ' SER . 32.4 mm-40 -66.34 -32.96 74.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.009 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 81.6 m -67.35 -39.58 85.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.557 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -25.53 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.47 -23.56 63.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.9 mt -97.23 -45.34 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.81 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.472 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 33.4 t30 -149.23 128.33 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -175.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -113.29 10.84 18.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.471 ' C ' HD13 ' A' ' 686' ' ' LEU . 34.9 mmtp -101.38 9.84 41.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.195 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -105.06 107.38 18.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.38 -23.71 65.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.791 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.48 77.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.022 0.439 . . . . 0.0 110.945 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.7 -47.09 90.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.456 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -65.81 -42.26 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.963 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.7 p -61.59 -40.86 96.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.317 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 646' ' ' TYR . 12.0 m-80 -65.12 -43.84 90.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.001 177.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.43 -50.34 71.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.91 -43.6 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.461 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.479 ' HB2' ' NH1' ' A' ' 696' ' ' ARG . 3.3 tm? -57.99 -43.87 86.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.939 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.0 m -65.74 -43.81 87.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.79 -37.36 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.602 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -59.77 -32.0 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 111.051 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -76.69 -29.66 56.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.52 16.33 13.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.621 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 44.4 t 63.81 21.68 12.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.364 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.63 68.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 109.952 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -67.39 -37.12 82.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.07 -35.83 78.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.246 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -75.71 -41.98 52.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.256 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.337 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.0 ttmt -53.99 -44.02 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.891 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -64.18 -50.83 66.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.414 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -33.52 76.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.467 -177.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.689 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 20.3 t70 -66.56 -41.15 89.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.556 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 86.1 mm-40 -60.11 -36.57 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.634 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.9 90.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.59 -31.93 70.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.209 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.0 mt-30 -61.29 -28.17 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 18.2 mt -92.37 -42.78 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.162 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.64 103.31 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.535 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.78 90.91 5.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.589 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.15 19.14 0.55 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.062 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.49 106.17 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.811 HG13 HG13 ' A' ' 717' ' ' VAL . 92.3 t -56.36 -40.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.692 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -65.51 -31.62 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.55 59.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.52 -50.43 63.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.11 0.481 . . . . 0.0 110.683 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.616 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 75.7 t80 -58.59 -43.27 89.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.384 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.479 ' NH1' ' HB2' ' A' ' 665' ' ' LEU . 97.6 mtt180 -78.26 -26.45 47.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.273 -176.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.46 -39.55 77.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -61.1 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.5 mt -61.05 -42.11 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.084 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.53 64.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.812 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 58.8 m-70 -57.48 -44.93 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.89 -45.79 78.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -65.92 -24.02 71.34 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.663 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.8 7.67 44.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.29 26.45 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.748 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 88.1 m-20 -99.58 76.47 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -80.52 -36.05 33.71 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.205 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -65.39 -35.93 82.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -70.48 -44.84 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.86 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.28 -40.31 93.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.082 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.86 -33.71 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.43 -37.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.548 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 717' ' ' VAL . 65.4 m-20 -83.45 -33.99 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.2 -47.69 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.548 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.556 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 37.8 m-80 -61.51 -32.68 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.593 ' O ' HD22 ' A' ' 720' ' ' LEU . 0.1 OUTLIER -65.02 -46.9 79.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.741 176.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.811 HG13 HG13 ' A' ' 691' ' ' VAL . 70.0 t -54.96 -39.72 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.959 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.9 mm -63.59 -23.77 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.479 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.3 mt -76.2 -53.97 7.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.593 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -60.25 -58.22 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.455 0.645 . . . . 0.0 111.126 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -127.57 90.87 47.2 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.409 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.41 2.93 5.74 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.018 2.478 . . . . 0.0 113.288 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 21.0 m -103.45 2.08 33.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.765 0.317 . . . . 0.0 111.231 -174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.518 HG22 ' H ' ' A' ' 727' ' ' ALA . 22.9 mt -81.62 106.5 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.155 0.502 . . . . 0.0 110.665 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.48 -34.78 71.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 20.4 mm-40 -55.08 -48.67 73.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.521 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.518 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.73 -29.86 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.983 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -71.92 -28.22 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 0.0 110.107 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.7 mmt -85.03 -21.15 29.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.537 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 57.7 mm-40 -80.53 -50.16 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.442 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.7 OUTLIER -65.43 -27.08 68.27 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.819 -175.778 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.3 pt-20 -73.24 -39.22 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.49 ' CD ' HH21 ' A' ' 736' ' ' ARG . 7.4 tp10 -69.7 -48.48 59.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.394 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.505 ' HA ' HD12 ' A' ' 737' ' ' LEU . 95.2 t -61.47 -32.22 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.167 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.5 m -64.02 -35.85 82.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 32.8 mtm180 -79.96 -36.42 36.19 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 734' ' ' VAL . 89.4 mt -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.213 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.81 -29.99 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.524 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -83.24 -10.27 58.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.716 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 79.9 mt -82.63 169.38 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -97.0 -33.31 11.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.533 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.315 -179.216 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.25 131.94 36.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.068 2.512 . . . . 0.0 112.165 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -97.05 82.75 3.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.737 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 78.4 mtp 70.34 136.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.726 0.641 . . . . 0.0 111.57 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.2 p -75.02 166.83 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 88.7 t80 -52.86 -40.87 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.35 -50.86 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.766 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -64.12 -42.31 96.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.012 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.33 -40.31 95.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.109 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.75 -45.41 94.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 48.0 mt-10 -58.6 -47.22 85.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.516 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 62.6 mm-40 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -56.28 -48.74 72.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -61.76 -41.96 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.583 0.23 . . . . 0.0 111.233 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.2 mm-40 -62.7 -30.84 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.556 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 69.3 m -75.66 -48.33 22.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.114 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.4 t -54.82 -44.74 73.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -74.56 -12.44 60.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.671 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -105.67 10.21 32.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.228 0.537 . . . . 0.0 110.034 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' LYS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 639' ' ' TYR . 51.0 mtpt 63.24 23.95 14.09 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.03 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 60.1 t30 -100.53 56.84 0.91 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.929 0.871 . . . . 0.0 108.917 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.611 ' CE1' ' HA ' ' A' ' 637' ' ' LYS . 83.8 m-85 -67.63 -30.52 70.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.861 -174.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -60.95 -39.49 89.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.81 -31.64 28.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.034 0.445 . . . . 0.0 110.308 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.77 68.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.742 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.7 mt -54.3 -46.3 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.853 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 27.4 m -69.67 -36.45 76.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.977 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.08 -44.01 77.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' A' ' 650' ' ' LEU . 29.6 m-85 -71.6 -25.06 62.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 23.1 t -65.35 -33.66 76.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.53 -32.56 66.22 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 646' ' ' TYR . 67.1 m -59.77 -40.58 88.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.006 174.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 650' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 646' ' ' TYR . 85.5 mt -72.53 -10.42 59.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.673 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 52.0 mt -99.63 -51.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.819 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 46.2 t30 -135.59 126.58 27.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 111.047 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -118.82 12.5 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 686' ' ' LEU . 26.9 tptp -94.29 -9.67 35.28 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 121.085 0.469 . . . . 0.0 110.809 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -92.39 106.45 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.101 0.476 . . . . 0.0 111.087 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.77 -20.94 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.655 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.3 -30.29 71.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.721 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.07 -50.46 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 65.0 m-85 -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.944 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 7.0 p -65.56 -40.7 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.304 . . . . 0.0 111.005 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' ASN . . . . . 0.441 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 8.5 m-80 -64.98 -39.85 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.446 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -57.78 -51.3 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.546 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.03 -43.6 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.132 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.422 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 54.6 tp -55.92 -45.57 78.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.543 176.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.25 -47.18 83.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.798 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.86 -32.87 68.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.925 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -63.93 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.132 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.5 mptp? -76.24 -28.7 57.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.18 3.81 52.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.503 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.0 m 62.05 24.94 14.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.469 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -94.4 68.16 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -64.11 -35.6 81.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.205 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.71 -38.6 88.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.26 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -72.35 -46.45 55.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.033 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -57.56 -40.75 79.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.528 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.472 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -53.21 -44.73 68.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.038 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.1 -44.46 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.216 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 2.1 m-20 -61.42 -34.52 75.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.57 -41.54 96.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.94 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.89 -40.02 96.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.265 0.555 . . . . 0.0 110.041 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.585 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 78.6 mm-40 -64.05 -33.42 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.72 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.67 70.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.417 . . . . 0.0 110.779 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.5 mt -78.07 -29.65 49.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.898 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 682' ' ' GLN . 3.4 pt20 -66.53 -36.88 83.79 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.21 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.8 mt -76.15 -42.03 48.03 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.948 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.73 104.08 7.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -78.49 80.31 4.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.407 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 145.18 26.37 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.214 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.31 104.79 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.669 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -54.72 -42.9 63.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.665 -176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.643 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 98.9 mttt -64.91 -35.51 81.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.42 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -64.67 -47.03 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 109.921 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.568 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 59.4 t80 -60.03 -43.41 95.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 29.2 mmt180 -64.27 -42.66 96.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 0.0 110.586 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 701' ' ' HIS . 43.8 ttp180 -69.33 -37.15 77.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.956 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.32 92.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 82.9 mt -67.48 -40.28 85.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.291 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.38 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.814 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.472 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 54.2 m-70 -61.06 -40.17 92.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.8 -42.09 78.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.89 -20.73 78.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.649 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 67.6 mt -96.42 5.83 50.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 62.36 30.87 17.47 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.088 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 706' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.0 m-20 -101.8 66.8 1.07 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 174.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -74.44 -30.95 62.11 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.113 -167.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 708' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 712' ' ' ILE . 61.0 tp60 -63.18 -42.74 99.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.38 -43.71 93.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.668 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.8 t -61.31 -43.78 98.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.14 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 55.5 mt -58.56 -34.8 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 712' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.3 mt -63.34 -36.92 78.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.442 . . . . 0.0 110.476 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 717' ' ' VAL . 60.9 m-20 -80.46 -36.39 33.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.3 mt -66.61 -47.84 71.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.598 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.0 m-80 -61.8 -32.21 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.025 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -66.81 -41.71 87.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.585 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.669 HG13 HG13 ' A' ' 691' ' ' VAL . 72.3 t -60.03 -37.48 72.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.9 mm -66.11 -27.67 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.872 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.0 mt -73.63 -40.05 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.223 0.535 . . . . 0.0 110.321 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.5 mt -79.62 -47.49 15.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.655 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -143.24 93.44 6.48 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 0.0 110.473 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.55 9.97 2.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.066 2.51 . . . . 0.0 112.592 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.0 m -93.49 -15.24 25.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 727' ' ' ALA . 15.8 mt -73.9 104.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.76 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.55 -34.02 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.423 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 37.0 mt-10 -54.87 -46.16 74.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.01 -29.42 64.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.005 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.395 0.617 . . . . 0.0 109.927 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -84.29 -22.63 30.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.802 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -82.38 -48.72 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -24.73 66.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.776 -175.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.0 pt-20 -74.43 -39.2 62.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.058 0.456 . . . . 0.0 109.825 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 6.4 tp10 -75.91 -44.47 40.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.56 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.0 t -61.57 -32.51 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.241 -178.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.9 m -65.1 -35.06 79.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.449 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 50.4 mtm-85 -77.98 -38.82 44.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.369 0.604 . . . . 0.0 109.517 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 734' ' ' VAL . 70.5 mt -61.5 -39.58 91.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.784 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.91 -35.39 80.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.706 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -75.95 -17.96 59.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 59.4 mt -69.68 160.63 31.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.129 0.49 . . . . 0.0 110.971 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -99.87 -6.88 26.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.124 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.696 -0.668 . . . . 0.0 110.246 175.413 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.78 149.36 66.67 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.6 2.2 . . . . 0.0 112.378 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -77.16 92.66 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.786 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 80.7 mtp -116.2 123.97 49.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.947 0.403 . . . . 0.0 110.843 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.6 p -89.02 179.29 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.4 t80 -55.18 -42.88 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -62.6 -49.89 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.732 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.1 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.026 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.67 -37.83 82.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -64.07 -51.44 64.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.0 110.36 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.14 -52.09 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.182 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.35 -34.91 79.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.08 96.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.89 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -63.67 -34.06 77.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.81 -38.48 89.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.318 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.12 -39.58 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.43 -49.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.83 -33.68 76.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -77.33 0.02 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.709 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 65.81 20.78 11.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.849 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.56 61.5 0.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.457 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 78.9 m-85 -64.55 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.066 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -62.91 -28.42 70.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.3 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -85.87 -36.67 19.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 109.896 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.07 75.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.685 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.3 mt -54.42 -47.96 72.19 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.63 176.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.6 m -66.45 -40.06 89.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.057 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.16 -45.5 80.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -69.46 -26.73 64.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 t -64.48 -37.76 88.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.986 0.422 . . . . 0.0 109.919 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 651' ' ' LYS . 34.5 mm-40 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.037 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.42 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 65.4 m -57.7 -47.06 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.575 177.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -57.69 -40.6 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.426 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' A' ' 648' ' ' GLU . 52.4 mtmt -64.22 -22.44 66.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.272 0.558 . . . . 0.0 110.73 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.9 mt -90.28 -42.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.208 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -155.54 119.74 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.892 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -101.45 8.66 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.828 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -98.61 10.51 40.88 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.712 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.23 108.17 19.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.5 p -64.51 -23.42 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.705 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.02 71.89 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.042 0.448 . . . . 0.0 111.181 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 46.7 mm -72.2 -47.22 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -64.31 -46.63 82.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.701 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.2 p -61.1 -43.11 99.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.67 0.271 . . . . 0.0 111.543 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -77.79 -30.07 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.846 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.7 ttp180 -69.45 -40.97 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.23 -39.6 90.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.538 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.64 -36.66 76.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.214 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 74.5 m -71.37 -43.65 66.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.521 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -57.12 -35.52 69.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.606 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.7 mt -58.08 -31.61 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.177 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -80.83 -35.21 33.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.16 8.51 15.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 67.15 19.96 10.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.861 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -93.22 65.32 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.274 0.559 . . . . 0.0 109.505 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.452 ' HB2' HD21 ' A' ' 704' ' ' LEU . 44.5 m-85 -66.68 -36.42 82.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.635 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.25 -39.92 88.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.57 -44.04 68.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.31 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.095 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.8 ttmt -56.1 -48.07 76.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.64 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.259 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.74 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.5 m -63.42 -37.01 85.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 32.7 t70 -64.88 -41.6 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -60.51 -43.29 97.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.87 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 53.7 mt -72.63 -27.19 61.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 88.3 mt-30 -70.05 -34.53 73.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.457 . . . . 0.0 109.955 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.58 -40.73 25.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 103.88 8.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.395 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.97 88.75 5.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.341 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.17 21.86 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.155 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -80.17 105.71 11.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.667 HG13 HG13 ' A' ' 717' ' ' VAL . 96.4 t -57.34 -42.46 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.414 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.9 -33.66 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.81 -40.47 72.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -66.82 -49.07 66.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.069 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.639 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.1 t80 -58.94 -47.65 84.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.381 -176.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.57 -25.09 59.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.318 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.48 -40.21 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -58.37 -41.37 84.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.647 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 64.1 mt -61.86 -39.46 91.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.018 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 700' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 673' ' ' PHE . . . -64.14 -52.01 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.941 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.45 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 74.3 m-70 -57.17 -39.22 74.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.12 -38.61 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.668 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -79.23 -14.45 81.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.46 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 673' ' ' PHE . 53.2 mt -100.69 10.03 41.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.744 0.307 . . . . 0.0 110.569 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 63.07 26.14 15.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.218 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 706' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.2 m-20 -101.77 71.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.998 -170.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 708' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.4 tp60 -67.83 -38.2 82.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 709' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 706' ' ' ASN . 45.3 mmtm -64.11 -44.81 91.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.73 176.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.7 t -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.243 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 37.6 mt -58.85 -34.68 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.458 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 708' ' ' GLN . 69.6 mt -61.74 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.0 m-20 -77.31 -34.49 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.123 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.7 mt -66.8 -47.85 70.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.542 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.698 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 29.3 m-80 -62.15 -34.25 76.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -60.19 -44.47 95.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.096 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.667 HG13 HG13 ' A' ' 691' ' ' VAL . 70.4 t -61.82 -39.74 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.726 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -65.47 -28.27 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.1 0.476 . . . . 0.0 110.518 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 69.2 mt -74.19 -43.17 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.095 0.474 . . . . 0.0 110.499 176.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.29 -43.76 55.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.896 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.35 93.74 4.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.534 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.64 9.02 3.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.893 2.395 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 19.2 t -97.7 -3.38 39.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 109.804 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 727' ' ' ALA . 26.7 mt -82.56 106.16 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.33 -31.02 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.338 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.49 -46.36 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.419 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.589 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.51 -27.37 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -71.63 -28.73 63.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.1 mmt -86.19 -24.39 26.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.703 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -76.46 -50.97 12.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.507 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 714' ' ' LEU . 1.0 OUTLIER -68.33 -27.35 66.2 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.207 -173.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 8.5 pt-20 -70.21 -36.77 74.8 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 44.0 tt0 -71.42 -47.35 56.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.31 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 737' ' ' LEU . 90.5 t -61.01 -33.98 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.779 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 95.8 m -65.31 -32.8 74.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 30.2 mtm180 -75.05 -34.88 61.89 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 734' ' ' VAL . 54.1 mt -69.42 -42.57 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.474 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.4 tp -63.77 -30.87 71.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.904 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.59 -3.43 50.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.242 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 740' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.27 171.94 8.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -75.05 -64.61 1.01 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.953 0.406 . . . . 0.0 110.776 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.083 -175.64 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.76 81.45 1.07 Allowed 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.065 2.51 . . . . 0.0 112.063 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.15 -27.19 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.297 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.36 96.86 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.991 178.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.473 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 59.9 p -125.15 -173.72 2.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.051 -175.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 88.2 t80 -55.25 -42.31 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.29 0.567 . . . . 0.0 110.083 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -66.89 -40.03 87.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.906 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.473 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -69.38 -32.99 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.48 -40.76 70.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -64.39 -46.18 84.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.702 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.7 pt-20 -62.96 -43.73 97.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.032 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -69.92 -30.55 67.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.855 0.359 . . . . 0.0 110.352 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.65 99.71 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.63 -42.28 96.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.025 0.441 . . . . 0.0 109.986 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 17.4 mm-40 -63.55 -40.01 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.565 179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 76.0 m -63.49 -45.06 92.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.104 0.253 . . . . 0.0 110.654 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.08 -41.17 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.95 0.405 . . . . 0.0 110.427 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.34 -39.82 94.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.93 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.86 -8.78 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 0.0 110.565 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' LYS . . . . . 0.408 ' HB2' ' NZ ' ' A' ' 637' ' ' LYS . 8.7 mtmp? 70.26 20.31 6.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.846 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.58 77.12 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.55 0.691 . . . . 0.0 109.203 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.549 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 62.0 m-85 -70.66 -25.12 62.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.913 -173.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' LYS . . . . . 0.413 ' HA ' HD11 ' A' ' 670' ' ' LEU . 44.3 mtmt -56.65 -53.04 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.931 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -82.65 -19.64 37.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.04 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.5 81.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 86.9 mt -57.62 -41.96 82.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.592 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 7.0 m -64.67 -49.41 71.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.26 -47.71 80.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.2 m-85 -72.89 -24.95 60.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.164 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 47.4 t -68.34 -44.14 75.97 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.13 -25.18 66.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 83.1 m -63.83 -43.54 95.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.246 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.52 -28.99 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.087 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -61.98 -27.24 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.6 mt -98.33 -51.55 10.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.763 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -138.72 115.28 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.264 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -103.01 12.66 35.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.057 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.415 ' HA ' HD22 ' A' ' 686' ' ' LEU . 31.2 mmmt -103.17 11.52 36.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.26 95.96 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.635 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.21 -26.7 68.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.343 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.49 75.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.001 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 48.5 mm -61.96 -46.81 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.162 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -63.51 -43.34 97.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.273 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.4 p -65.94 -28.25 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.07 -39.9 32.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.545 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -63.26 -44.31 95.51 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.23 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.662 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.33 -42.5 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.3 -45.88 92.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.987 0.422 . . . . 0.0 109.88 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.61 -38.03 89.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.768 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 19.1 m-85 -64.95 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 177.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 92.2 mt -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.573 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -73.24 -33.18 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.851 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 640' ' ' LYS . 81.8 mt -100.1 28.14 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 28.3 p 47.37 34.85 3.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.082 0.953 . . . . 0.0 112.976 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 49.2 mt-30 -107.53 65.42 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.311 0.577 . . . . 0.0 109.729 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.48 -37.2 79.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.607 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.33 -37.63 83.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.968 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.23 -42.25 72.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.971 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.995 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -54.34 -44.25 71.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.09 -44.99 96.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.35 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -38.85 82.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.28 -40.42 94.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.373 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.8 t70 -66.38 -40.93 90.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.301 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.567 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 89.6 mm-40 -62.14 -37.62 85.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.76 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.702 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.86 -31.05 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.437 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.8 mt-30 -63.76 -29.81 70.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.41 . . . . 0.0 110.296 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 21.7 mt -88.88 -47.07 8.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -117.86 103.8 10.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.59 92.73 5.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.011 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 123.57 19.37 2.82 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.175 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -76.93 106.35 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -56.49 -37.63 52.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.297 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 62.8 mttm -65.67 -37.21 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.596 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.72 84.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -65.89 -47.55 74.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.233 0.539 . . . . 0.0 110.026 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.581 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.2 t80 -59.07 -42.54 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.981 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.2 mmt180 -64.98 -44.34 89.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.02 -36.95 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.929 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.28 95.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.658 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.1 mt -66.04 -37.49 85.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.103 0.478 . . . . 0.0 110.256 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.01 -52.28 63.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.677 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.21 -35.71 77.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.813 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.89 -43.32 86.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.344 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -74.94 -21.6 78.19 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.246 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.68 8.42 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.725 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 62.68 22.27 13.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.941 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.22 67.28 1.57 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -74.25 -29.27 61.6 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.154 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 57.5 tp60 -66.91 -32.45 73.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 109.511 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -78.26 -40.25 37.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -64.05 -41.34 97.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.219 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.13 -32.94 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.73 -40.03 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.918 0.39 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.5 m-20 -83.4 -34.7 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.9 mt -65.69 -48.07 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.369 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.66 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.3 m-80 -59.73 -39.1 83.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 12.1 tptm -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.395 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 691' ' ' VAL . 70.7 t -61.46 -39.89 84.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 175.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.3 mm -64.35 -36.34 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.34 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 68.9 mt -69.31 -38.61 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 110.693 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 83.6 mt -78.91 -44.29 22.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.067 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -144.41 89.29 6.95 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 109.982 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.74 7.14 4.04 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.905 2.403 . . . . 0.0 113.044 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 25.6 m -97.56 -3.86 38.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.515 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.4 mt -80.26 95.73 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.816 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.06 -34.61 67.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.348 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 62.8 mm-40 -54.09 -44.0 70.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.627 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.515 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -76.05 -28.38 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 728' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 30.3 mtpp -74.9 -24.22 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.219 0.533 . . . . 0.0 110.168 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.0 mmt -86.33 -19.78 29.3 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.576 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 20.0 mm-40 -80.49 -51.69 8.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.783 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -63.74 -26.85 68.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.059 -174.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 731' ' ' LEU . 6.9 pt-20 -73.46 -34.76 65.53 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 736' ' ' ARG . 9.2 tp10 -77.75 -44.28 28.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.95 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.523 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.1 t -60.71 -30.94 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.9 m -65.0 -36.81 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.473 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.449 HH21 ' CD ' ' A' ' 733' ' ' GLU . 60.8 mtm-85 -77.37 -38.47 50.03 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.342 0.591 . . . . 0.0 109.533 -177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 734' ' ' VAL . 75.7 mt -61.2 -39.48 90.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.422 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.3 tp -71.39 -29.92 65.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.895 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -78.29 -21.02 50.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 44.0 mt -66.63 155.29 38.29 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.949 173.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.78 -25.61 18.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.928 -173.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.211 177.452 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.24 94.82 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.592 2.195 . . . . 0.0 112.661 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -69.42 -52.6 25.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' MET . . . . . 0.442 ' HB3' ' HE2' ' A' ' 621' ' ' MET . 71.0 mtp 62.64 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.139 0.899 . . . . 0.0 112.697 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 42.4 p -90.28 179.92 5.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 86.5 t80 -55.62 -41.42 73.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.086 0.469 . . . . 0.0 110.389 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.77 -42.36 97.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.579 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.487 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.71 -38.01 76.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -38.69 91.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.7 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.14 -48.2 79.49 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.0 pt-20 -65.46 -39.56 92.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.54 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -60.9 -43.7 98.14 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.273 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.44 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -59.45 -44.53 96.6 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.715 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.88 -41.94 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.842 0.353 . . . . 0.0 110.667 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.0 mm-40 -59.72 -40.57 88.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 56.5 m -69.62 -37.49 76.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 630' ' ' GLY . 98.3 t -63.92 -44.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 121.043 0.449 . . . . 0.0 110.237 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.62 -34.08 77.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.53 -5.91 57.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.797 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 56.0 mttp 66.81 22.9 10.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.921 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -101.63 67.45 1.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -66.45 -32.17 73.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.666 -171.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.16 -29.34 70.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.354 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.26 -35.02 21.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 0.0 109.866 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -57.07 -39.86 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.853 177.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 670' ' ' LEU . 93.2 mt -54.75 -45.5 74.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.739 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 21.7 t -65.63 -39.74 91.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.29 -44.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -70.13 -27.11 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.894 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 14.2 t -62.39 -37.78 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.02 0.438 . . . . 0.0 109.893 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.94 -25.71 63.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 63.7 m -66.27 -42.26 88.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.194 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.52 -10.32 58.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -77.01 -30.32 55.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.101 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 43.3 mt -97.0 -50.96 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.371 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 35.1 t30 -137.19 131.58 32.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -175.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -119.01 14.52 13.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.039 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.403 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.6 mmtm -102.07 2.42 37.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' GLU . . . . . 0.43 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.4 tp10 -91.48 93.0 8.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 4.1 p -61.48 -22.24 64.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.32 85.35 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.592 0.235 . . . . 0.0 110.943 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.6 mm -58.32 -45.89 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.908 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.18 -46.2 78.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -62.55 -33.86 75.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.468 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -80.68 -38.0 29.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.591 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 2.8 ttp180 -68.55 -38.61 80.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.192 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.42 -41.12 88.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.727 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 67.5 tp -60.38 -39.22 86.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.357 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.71 -37.01 83.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.557 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 19.1 m-85 -66.66 -34.29 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.349 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 88.2 mt -63.57 -30.26 71.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.379 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -85.4 -18.7 32.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.187 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 672' ' ' GLN . 72.7 mt -102.56 24.79 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.731 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 27.9 p 45.85 36.59 2.93 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.096 0.873 . . . . 0.0 112.133 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 670' ' ' LEU . 97.1 mt-30 -113.55 57.69 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.647 0.737 . . . . 0.0 109.456 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -67.14 -35.08 78.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.098 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -61.78 -33.56 74.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.45 -43.07 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.265 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -59.8 -38.79 82.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.48 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -55.66 -35.63 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.822 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -75.1 -41.23 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.725 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -45.31 94.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.664 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 42.3 m -61.51 -33.45 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.524 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.67 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 14.8 t70 -61.51 -55.12 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.78 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.609 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 88.6 mm-40 -60.47 -36.7 78.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.294 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.11 94.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.0 110.985 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.14 -29.51 61.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.8 mm-40 -65.01 -30.32 71.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.221 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.7 mt -86.4 -44.89 11.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.268 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.66 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.72 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.56 90.35 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.39 0.614 . . . . 0.0 109.67 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.92 10.21 0.57 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.394 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -77.82 101.73 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 717' ' ' VAL . 95.4 t -57.54 -39.89 71.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.192 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.703 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 61.5 mtpt -60.24 -37.02 79.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -68.23 -44.61 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -63.12 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.334 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.562 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 66.0 t80 -62.83 -41.58 99.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.045 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 23.7 mmt180 -65.55 -40.01 92.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.701 0.286 . . . . 0.0 110.331 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 681' ' ' ASP . 23.5 ttm180 -66.9 -40.44 87.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.93 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 698' ' ' ALA . . . . . 0.401 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -59.66 -42.48 92.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.475 175.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 87.1 mt -67.06 -38.35 85.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 177.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 700' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' A' ' 704' ' ' LEU . . . -60.89 -53.72 53.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.48 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 57.8 m-70 -61.59 -37.3 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.45 -46.48 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.444 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.34 -20.98 75.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 700' ' ' ALA . 55.4 mt -93.43 6.52 47.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 109.849 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 60.34 29.81 19.31 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.046 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -100.61 69.17 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.032 -0.985 . . . . 0.0 108.778 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 707' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 37.0 m-85 -76.35 -27.08 56.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.542 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -65.93 -36.8 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.363 0.601 . . . . 0.0 109.411 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -48.01 47.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.268 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 28.4 t -59.53 -41.36 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.609 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.61 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.58 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 110.159 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.404 ' O ' HG23 ' A' ' 717' ' ' VAL . 50.4 m-20 -78.14 -35.66 48.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.597 ' O ' HG12 ' A' ' 718' ' ' ILE . 91.2 mt -65.89 -48.38 71.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.552 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 23.0 m-80 -59.02 -35.5 73.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -63.61 -42.61 98.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 691' ' ' VAL . 69.0 t -60.42 -42.68 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -61.48 -30.46 48.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 79.8 mt -78.86 -39.18 35.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 111.171 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.48 -41.83 54.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.674 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -146.21 89.88 5.86 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.119 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.48 5.87 4.84 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.762 2.308 . . . . 0.0 112.847 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.7 p -102.6 4.3 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.929 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.5 mt -83.19 99.5 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -60.33 -36.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.678 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 25.1 mm-40 -57.34 -44.29 84.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.554 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.49 -31.79 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 728' ' ' LYS . . . . . 0.407 ' HB3' ' NZ ' ' A' ' 728' ' ' LYS . 9.1 mtpm? -73.17 -28.8 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.27 0.557 . . . . 0.0 110.33 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.83 -19.93 29.91 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.722 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 35.8 mm-40 -75.51 -56.03 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.252 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.408 ' CA ' HD13 ' A' ' 714' ' ' LEU . 1.4 pt? -64.47 -28.56 69.75 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.348 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.55 -28.65 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.332 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 40.2 tt0 -83.36 -43.83 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.464 ' HA ' HD12 ' A' ' 737' ' ' LEU . 84.0 t -60.82 -32.77 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.173 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.3 m -62.68 -34.98 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.529 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 48.0 mtm105 -78.62 -40.18 35.1 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 734' ' ' VAL . 91.5 mt -59.16 -39.08 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.638 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.85 -34.33 76.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.841 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.68 -6.21 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.823 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 76.5 mt -69.82 164.35 23.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -86.56 -27.02 24.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.281 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.219 177.368 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.81 52.84 4.39 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 112.988 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -122.75 114.44 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 95.7 mmm -76.18 118.65 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.242 0.544 . . . . 0.0 111.192 -176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.447 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 45.8 p -123.49 179.6 4.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.258 178.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 91.1 t80 -56.17 -42.67 77.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.215 0.531 . . . . 0.0 110.557 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.07 -40.91 82.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.447 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -64.25 -44.05 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 178.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.6 -44.06 96.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.647 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.52 -49.53 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.4 mt-10 -64.94 -43.92 91.17 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.448 -176.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -63.81 -33.79 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.84 -45.69 95.17 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 172.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.64 -43.65 85.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.264 177.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.4 mm-40 -62.57 -40.19 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.569 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 77.4 m -65.29 -38.93 91.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 176.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 630' ' ' GLY . 75.5 t -59.26 -51.13 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.833 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -67.95 -19.73 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.401 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -96.42 6.47 48.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.564 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' LYS . . . . . 0.463 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 59.4 mttp 62.91 24.41 14.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 65.8 t30 -112.3 63.34 0.63 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.725 0.774 . . . . 0.0 109.039 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.463 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 77.8 m-85 -68.9 -27.2 65.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.056 . . . . 0.0 111.612 -172.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -62.81 -30.48 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.28 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.23 -24.98 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.505 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -62.46 -40.99 98.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.732 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.3 mt -55.31 -42.82 74.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.836 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.2 m -62.1 -38.37 88.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.126 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.26 -40.79 43.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.791 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.89 -29.22 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.216 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 33.4 t -61.96 -41.93 98.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 110.01 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.93 -21.5 60.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.3 m -66.21 -40.87 90.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.124 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.81 -11.41 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.211 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.7 -33.37 72.43 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.367 0.603 . . . . 0.0 109.587 169.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.2 mt -95.82 -53.28 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.245 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 35.1 t30 -141.18 127.46 19.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.278 -172.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -116.58 9.22 14.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.466 ' C ' HD13 ' A' ' 686' ' ' LEU . 21.0 tptm -90.59 -11.8 38.9 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.621 0.725 . . . . 0.0 110.072 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.02 98.99 9.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.699 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 3.7 p -60.87 -23.94 65.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.747 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.77 69.49 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 111.4 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.582 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -71.01 -47.92 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.1 m-85 -65.48 -41.7 93.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.583 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 23.3 p -61.36 -50.92 70.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.949 0.404 . . . . 0.0 110.775 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -70.61 -31.39 68.34 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.945 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 6.4 ttp180 -68.23 -42.38 79.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.46 -41.14 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.421 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.5 -37.62 75.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.081 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.58 -48.4 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.487 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.43 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 26.5 m-85 -58.1 -31.19 66.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.686 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.5 mt -61.29 -32.6 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.413 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 639' ' ' TYR . 5.1 mptp? -83.1 -26.11 31.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.206 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.41 13.0 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.529 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 77.5 m 59.69 29.19 18.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.967 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -103.97 61.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.405 0.622 . . . . 0.0 109.474 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -66.78 -33.4 75.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.131 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.17 -39.58 95.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.22 -43.5 64.33 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -56.82 -39.54 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.688 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -55.6 -45.96 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.137 0.494 . . . . 0.0 110.476 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 682' ' ' GLN . 49.8 mt-30 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.31 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 10.0 m-20 -65.07 -45.89 83.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.349 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 47.4 m -62.45 -35.58 79.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.94 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 25.2 t70 -62.52 -46.8 86.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.182 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.581 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 89.9 mm-40 -60.75 -39.44 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.57 91.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.13 -29.7 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.24 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.8 mt-30 -63.66 -29.93 71.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.3 mt -88.57 -45.25 10.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.35 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.97 104.05 8.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.654 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -79.48 90.4 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.999 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 134.23 20.07 0.84 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.52 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -79.62 105.29 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.648 HG13 HG13 ' A' ' 717' ' ' VAL . 59.7 t -58.75 -39.96 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.779 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 696' ' ' ARG . 29.4 mmmt -63.95 -34.75 78.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.065 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.12 -44.17 63.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.286 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -61.59 -47.18 86.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.888 0.375 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.493 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.1 t80 -58.58 -39.62 80.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 692' ' ' LYS . 52.6 mtt85 -72.94 -39.52 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.557 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -66.13 -34.97 79.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.02 90.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.562 173.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.4 mt -63.68 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.03 69.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.6 m-70 -63.18 -37.4 87.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.792 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -40.48 83.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -73.17 -26.43 70.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.081 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.01 10.65 23.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.657 0.265 . . . . 0.0 110.832 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 61.31 29.3 18.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.399 0.619 . . . . 0.0 110.804 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 94.5 m-20 -106.01 67.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -73.21 -29.23 62.66 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.329 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -63.21 -35.91 81.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.595 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 709' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' A' ' 709' ' ' LYS . 29.5 mmmt -77.64 -39.93 43.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.726 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.9 t -64.54 -41.66 96.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.128 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.27 -35.17 73.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.237 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.1 -36.28 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.572 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 717' ' ' VAL . 71.8 m-20 -82.31 -36.07 27.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.2 mt -67.51 -48.5 66.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.425 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -63.4 -25.82 68.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.09 -48.11 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.648 HG13 HG13 ' A' ' 691' ' ' VAL . 77.5 t -56.1 -36.55 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.498 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 714' ' ' LEU . 40.4 mm -61.71 -28.93 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.34 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 57.5 mt -84.5 -42.27 15.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.539 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.58 -36.8 76.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.66 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -151.51 93.06 3.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.236 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.51 2.96 6.3 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.774 2.316 . . . . 0.0 113.426 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.1 p -103.09 10.43 37.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 0.0 110.946 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.7 mt -87.88 104.34 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.029 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.8 mm -69.08 -38.31 78.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.09 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.68 -35.4 76.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.476 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.2 -29.47 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.746 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -73.91 -26.39 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.189 0.519 . . . . 0.0 110.275 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.6 mmt -86.94 -19.81 28.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.037 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.68 -52.62 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.503 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -26.96 67.06 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.15 -174.731 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.511 ' N ' HD13 ' A' ' 731' ' ' LEU . 0.0 OUTLIER -73.28 -26.36 61.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.65 . . . . 0.0 109.847 178.135 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.17 -46.88 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -62.5 -36.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.719 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 47.0 m -63.5 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.334 177.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.665 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 48.9 mtm105 -80.55 -39.77 27.14 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 734' ' ' VAL . 57.7 mt -57.14 -41.36 78.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.814 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.55 -36.78 84.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.727 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -81.81 -4.23 55.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.004 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 68.1 mt -79.77 -175.64 4.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.657 0.265 . . . . 0.0 110.871 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.09 -58.12 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.731 0.3 . . . . 0.0 110.616 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.066 179.184 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.44 3.99 7.4 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.931 2.421 . . . . 0.0 112.859 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -108.43 101.29 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.287 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 86.9 mtp 65.46 175.27 0.21 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.751 0.657 . . . . 0.0 111.611 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.502 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 42.9 p -127.93 176.9 7.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.078 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 86.9 t80 -58.39 -42.66 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.048 0.451 . . . . 0.0 110.255 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.14 -44.26 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.542 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.502 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -62.95 -45.29 93.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.839 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.44 -42.6 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.18 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.421 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 28.3 mm-40 -59.59 -46.09 89.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.491 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.73 -39.26 87.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.567 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.64 -43.37 96.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.794 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.75 -41.33 77.37 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.607 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.6 mm-40 -63.94 -39.24 93.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.63 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 66.1 m -66.52 -38.25 86.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.446 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.36 -47.54 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.0 110.484 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -70.42 -23.97 62.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.84 -2.68 56.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.32 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt 64.31 27.63 13.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.404 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 54.4 t30 -112.18 73.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.073 176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.563 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.9 m-85 -73.84 -21.2 60.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.787 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -58.39 -43.59 88.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.363 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.86 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.119 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.32 79.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.666 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 94.6 mt -53.66 -48.84 69.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.751 176.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.2 m -62.22 -42.6 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.827 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.27 -46.61 69.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.272 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.61 -31.24 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.717 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 48.9 m -67.93 -30.8 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.974 0.416 . . . . 0.0 110.236 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.97 -32.16 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 174.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 70.1 m -62.66 -49.6 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.791 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.1 mt -56.68 -35.5 68.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.558 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 647' ' ' SER . 63.7 mttm -62.21 -23.11 66.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.444 . . . . 0.0 110.639 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.5 mt -96.23 -40.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.416 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 43.3 t30 -149.68 123.38 9.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.601 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -111.66 20.72 16.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.504 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -103.81 9.99 36.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.65 98.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.261 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 19.8 p -62.69 -25.17 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.594 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.16 78.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.757 0.313 . . . . 0.0 111.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 47.3 mm -62.32 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 64.6 m-85 -66.23 -46.35 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' THR . . . . . 0.632 HG21 ' HG3' ' A' ' 692' ' ' LYS . 7.4 p -62.03 -35.59 79.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.766 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -80.14 -37.93 32.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.537 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.543 ' HB3' ' OD1' ' A' ' 679' ' ' ASP . 3.8 ttp180 -68.51 -36.05 78.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.748 0.308 . . . . 0.0 110.276 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -63.13 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.285 174.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.63 -41.24 66.5 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 639' ' ' TYR . 76.8 m -62.87 -50.9 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.646 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 9.3 m-85 -56.29 -39.86 73.37 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.416 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -57.58 -40.5 79.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.304 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -72.4 -28.64 63.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.4 13.15 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.973 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.7 m 60.76 35.43 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.569 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 75.7 mt-30 -106.97 67.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -70.68 -36.28 73.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.983 -169.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.5 -41.36 97.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 110.314 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.48 -34.96 65.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.069 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.8 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -55.44 -48.3 74.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.591 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.52 -43.58 96.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.371 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.543 ' OD1' ' HB3' ' A' ' 663' ' ' ARG . 5.9 m-20 -59.13 -45.77 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 61.0 m -60.83 -39.0 87.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 35.6 t70 -64.27 -46.06 85.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.308 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 88.3 mm-40 -61.54 -34.49 75.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.67 99.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 687' ' ' ALA . 80.3 mt -71.58 -28.23 63.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.24 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.9 mm100 -60.29 -38.53 83.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.086 174.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.3 mt -83.68 -46.26 12.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.339 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 687' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 684' ' ' LEU . . . -120.88 102.58 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.44 92.76 7.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.012 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 130.59 21.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.555 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' ASN . . . . . 0.7 ' OD1' ' HG2' ' A' ' 692' ' ' LYS . 41.7 t-20 -83.1 106.98 15.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.673 HG13 HG13 ' A' ' 717' ' ' VAL . 86.0 t -57.04 -43.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.176 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.7 ' HG2' ' OD1' ' A' ' 690' ' ' ASN . 17.6 ptmt -66.74 -30.31 70.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.774 0.321 . . . . 0.0 110.793 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 693' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -66.53 -41.52 88.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.522 177.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.92 -46.12 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 110.137 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.556 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 64.9 t80 -58.7 -45.57 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.221 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 25.4 mmt180 -67.72 -35.52 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -68.86 -39.07 80.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.684 0.278 . . . . 0.0 110.416 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.23 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 77.7 mt -66.41 -38.72 88.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.448 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.2 m-70 -61.64 -36.52 81.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -58.55 -44.13 89.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.029 0.442 . . . . 0.0 110.087 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.46 -22.73 78.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.529 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 74.6 mt -93.86 12.45 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.777 0.322 . . . . 0.0 110.686 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 61.77 25.85 15.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.216 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.73 69.18 1.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.62 -32.14 60.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.836 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 708' ' ' GLN . . . . . 0.4 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.5 tp60 -65.0 -34.26 78.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -76.24 -42.77 44.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.476 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.88 -41.29 97.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.228 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 42.3 mt -58.12 -34.34 70.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.324 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 712' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 708' ' ' GLN . 66.1 mt -61.96 -41.1 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.38 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 717' ' ' VAL . 64.5 m-20 -77.18 -35.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.598 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.4 mt -66.82 -48.34 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.463 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.696 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.3 m-80 -58.63 -37.33 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.644 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 13.1 tptm -61.41 -43.9 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.344 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.673 HG13 HG13 ' A' ' 691' ' ' VAL . 70.6 t -60.12 -42.22 89.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.758 174.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -62.19 -31.62 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.801 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 65.8 mt -73.82 -45.12 53.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.312 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 85.7 mt -69.03 -46.13 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.912 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -151.59 97.73 3.08 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 121.214 0.53 . . . . 0.0 110.562 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.3 11.72 2.56 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.179 2.586 . . . . 0.0 112.675 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 40.6 m -96.65 -6.46 36.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.995 0.426 . . . . 0.0 110.354 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 727' ' ' ALA . 12.7 mt -79.91 103.26 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.0 mm -62.64 -33.71 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.427 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 36.9 mt-10 -53.4 -51.76 61.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.166 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.406 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.9 -30.27 70.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.105 -177.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.12 -29.99 68.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 729' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 24.2 mmt -87.61 -20.39 26.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.605 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 15.6 mm-40 -83.04 -45.16 14.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.96 -27.19 67.26 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.668 -176.596 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.504 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.6 pt-20 -71.42 -39.16 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 33.3 tt0 -66.56 -50.66 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.287 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' A' ' 737' ' ' LEU . 96.0 t -60.83 -32.09 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.993 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 91.8 m -63.76 -39.44 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.483 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 740' ' ' LEU . 61.5 mtm-85 -75.22 -30.58 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.239 0.542 . . . . 0.0 109.812 -176.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 734' ' ' VAL . 69.6 mt -69.73 -40.73 76.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.184 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.3 tp -68.94 -39.43 79.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.882 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -68.57 -17.14 64.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -101.83 151.23 22.32 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -178.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 741' ' ' LYS . . . . . 0.541 ' N ' HD12 ' A' ' 740' ' ' LEU . 22.0 tptm -89.06 50.83 2.02 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.73 1.252 . . . . 0.0 109.881 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 112.329 -2.214 . . . . 0.0 111.45 178.747 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 116.73 3.45 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.739 2.292 . . . . 0.0 112.094 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -80.82 89.33 5.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.967 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 66.2 mtp 70.2 116.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.848 -174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 43.5 p -93.1 179.66 5.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -176.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.657 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.9 t80 -53.78 -40.86 66.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.519 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.21 -44.06 97.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.19 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.037 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.115 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.56 -46.7 89.21 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 37.5 mm-40 -62.89 -43.54 98.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.463 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -59.36 -41.15 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.094 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.04 97.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.682 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -59.4 -37.73 78.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.695 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 31.4 mm-40 -68.76 -39.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.71 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.412 ' SG ' ' HG3' ' A' ' 645' ' ' LYS . 78.8 m -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.38 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.05 -41.68 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.452 . . . . 0.0 110.52 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.59 -36.48 83.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.654 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.18 -9.83 59.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 70.8 26.37 3.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.957 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -97.66 64.44 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.461 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 61.9 m-85 -68.79 -33.57 74.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.284 -171.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -62.21 -35.08 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 9.2 t70 -89.76 -27.84 19.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 0.0 110.038 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.71 -33.66 68.63 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.23 -46.52 65.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.803 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 35.7 t -66.26 -45.17 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.324 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 30.0 mmmt -56.68 -45.21 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -72.15 -31.66 66.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.339 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 56.6 m -70.25 -29.07 65.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.89 0.376 . . . . 0.0 110.4 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 644' ' ' SER . 17.5 mm-40 -63.01 -32.67 74.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 0.0 109.839 173.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.657 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.3 m -70.6 -41.33 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.715 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.81 -30.05 68.65 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.394 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -65.45 -24.41 67.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.762 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 30.1 mt -96.52 -47.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.484 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.67 125.97 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.123 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -109.8 7.44 24.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.48 ' HA ' HD22 ' A' ' 686' ' ' LEU . 47.5 mmtm -96.67 13.64 27.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' GLU . . . . . 0.498 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.6 tp10 -105.22 100.82 10.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 10.6 p -60.32 -26.75 66.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.757 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.76 -31.68 72.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.5 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.2 mm -68.96 -50.16 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.14 -42.79 99.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 61.3 p -66.94 -41.34 87.14 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.319 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -73.27 -33.45 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.8 ttp180 -68.06 -39.74 82.94 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.611 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.18 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.315 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 668' ' ' LEU . 60.8 tp -56.72 -41.59 77.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.51 176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.3 m -64.13 -49.16 73.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.264 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 12.9 m-85 -53.78 -38.81 64.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.5 mt -57.09 -32.98 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.587 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.461 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.3 mptp? -84.8 -23.79 28.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.509 -177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.04 17.09 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 110.318 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 37.9 m 65.13 17.51 11.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.737 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -96.82 61.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.71 -37.11 85.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.42 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.14 -38.22 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.296 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.58 -39.71 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.94 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -59.72 -41.53 91.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.807 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -53.17 -38.58 62.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.146 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.39 -46.58 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -37.87 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.933 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 57.0 m -61.33 -37.47 83.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.596 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.4 t70 -69.33 -43.48 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.536 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.4 mm100 -59.28 -38.78 81.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.19 81.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.069 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.58 -28.69 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -60.46 -35.58 76.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.059 0.457 . . . . 0.0 109.886 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 32.4 mt -80.1 -50.2 10.66 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.61 104.26 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -80.35 94.37 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.99 22.62 0.91 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -94.2 104.01 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.707 HG13 HG13 ' A' ' 717' ' ' VAL . 62.9 t -52.65 -43.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.597 -172.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.73 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 43.2 mmtm -57.41 -35.35 69.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.513 0.196 . . . . 0.0 111.241 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.68 70.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -66.67 -42.34 86.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.005 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.619 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 31.5 t80 -62.33 -47.15 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.873 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 27.1 mmt180 -65.42 -39.06 91.66 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -63.46 -47.63 81.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.537 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 698' ' ' ALA . . . . . 0.524 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -54.93 -45.65 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.173 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 90.2 mt -61.92 -39.96 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.44 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.43 -53.04 60.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.923 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.483 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 53.3 m-70 -60.38 -35.44 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.15 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.79 -49.02 78.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.036 0.446 . . . . 0.0 110.475 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -66.74 -23.8 72.53 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.684 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.9 mt -89.87 11.06 21.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 0.0 110.644 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.85 25.3 15.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.375 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 706' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 93.2 m-20 -104.16 73.44 1.13 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -76.95 -35.63 57.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.138 -169.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 708' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 712' ' ' ILE . 59.8 tp60 -69.46 -35.15 75.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -69.11 -39.19 79.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.161 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.8 t -67.12 -42.74 83.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.1 mt -55.99 -34.15 65.5 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 712' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 708' ' ' GLN . 78.0 mt -59.51 -45.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.354 . . . . 0.0 110.729 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 717' ' ' VAL . 5.6 m-20 -86.38 -20.41 28.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.376 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.996 ' HB3' HD12 ' A' ' 731' ' ' LEU . 26.0 mt -69.96 -52.26 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.307 173.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.584 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 35.1 m-80 -58.21 -31.89 67.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 110.019 174.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.64 ' O ' HD22 ' A' ' 720' ' ' LEU . 13.3 tptm -62.0 -48.97 77.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.632 177.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.707 HG13 HG13 ' A' ' 691' ' ' VAL . 72.4 t -55.18 -40.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.807 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 731' ' ' LEU . 38.1 mm -61.28 -29.38 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.0 mt -70.5 -58.21 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -58.27 -58.72 7.22 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.512 0.672 . . . . 0.0 111.24 177.422 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -135.18 89.69 22.96 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.203 -173.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.31 8.77 3.7 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.919 2.413 . . . . 0.0 112.172 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 18.5 m -98.81 7.86 45.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 110.415 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 727' ' ' ALA . 28.6 mt -91.61 106.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.281 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.3 -36.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.409 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 15.2 mm-40 -61.03 -38.85 87.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.851 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -67.82 -42.52 81.36 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 728' ' ' LYS . . . . . 0.541 ' HA ' HD21 ' A' ' 731' ' ' LEU . 4.0 mmmp? -55.5 -32.71 63.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.987 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 21.2 mmt -83.48 -19.12 36.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.029 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.6 mm-40 -84.47 -43.05 14.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.996 HD12 ' HB3' ' A' ' 714' ' ' LEU . 0.0 OUTLIER -63.21 -32.72 74.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.068 -179.133 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 10.9 pt-20 -74.04 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.105 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 35.1 tt0 -64.7 -53.65 44.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 737' ' ' LEU . 85.4 t -62.68 -31.6 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.668 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.4 m -65.68 -36.52 83.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.293 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 34.3 mtm-85 -74.76 -30.84 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 79.5 mt -69.38 -40.09 77.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.178 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.31 -31.26 71.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.576 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -66.51 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.062 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 82.2 mt -84.69 167.05 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.484 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -108.86 -21.68 12.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.806 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.22 91.8 1.03 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.217 2.612 . . . . 0.0 112.131 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -104.09 -58.31 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 90.2 mtp -136.96 135.84 38.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.539 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.7 p -82.73 164.74 20.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.319 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 37.0 t80 -49.8 -42.82 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.098 0.475 . . . . 0.0 110.402 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -56.33 -41.73 76.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.297 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -65.85 -57.51 7.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 648' ' ' GLU . 3.1 mm? -55.64 -41.72 73.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -61.69 -51.44 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.625 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 23.2 mm-40 -65.99 -45.39 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.327 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.77 -39.4 91.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.516 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.74 -45.63 95.36 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.778 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -54.98 -42.51 72.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.545 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.9 mm-40 -65.64 -36.96 85.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.009 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.1 m -66.75 -37.54 84.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.347 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.95 -44.67 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.471 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.61 -35.76 82.06 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.341 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.59 -7.29 52.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 65.95 30.01 9.97 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.685 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -107.61 68.02 0.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 57.1 m-85 -71.16 -30.0 65.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.173 -168.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -65.24 -29.45 70.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -88.41 -31.23 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.996 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.92 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.0 mt -54.36 -45.58 72.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.699 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 23.0 t -58.58 -48.09 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -59.01 -51.72 68.87 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.496 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.29 -32.95 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.821 -175.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 68.8 m -66.84 -30.26 70.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.721 0.296 . . . . 0.0 110.473 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.498 ' HB2' ' HG ' ' A' ' 626' ' ' LEU . 70.6 mm-40 -72.23 -34.91 68.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 174.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 626' ' ' LEU . 73.9 m -57.27 -48.63 78.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.294 175.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.71 -36.99 82.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.228 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 51.0 mtpt -59.92 -27.66 66.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.509 . . . . 0.0 110.569 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.8 mt -91.71 -40.19 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.658 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.454 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 30.9 t30 -149.6 111.82 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.825 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -93.37 6.01 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.733 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -97.56 12.29 33.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.313 -176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.61 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 0.0 111.068 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.2 p -68.72 -20.5 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.782 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 52.0 mm -70.22 -46.88 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.25 -47.14 86.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.046 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 16.9 p -63.87 -34.42 77.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.412 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -73.94 -36.85 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.155 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -64.5 -43.17 94.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.004 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.42 -45.12 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.81 -39.56 74.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.771 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.82 -43.75 52.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -56.26 -40.66 74.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 86.6 mt -56.13 -36.63 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.845 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -73.34 -25.6 60.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.283 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.88 16.81 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 0.0 110.575 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.81 20.7 12.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.866 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.64 65.89 3.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.246 0.546 . . . . 0.0 110.25 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 51.4 m-85 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.023 -176.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.23 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.99 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.85 -42.6 23.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.324 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.39 77.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.538 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.99 -41.52 87.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.764 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.63 -47.33 84.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.085 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -39.42 92.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.241 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.98 -39.51 89.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.063 0.458 . . . . 0.0 110.407 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 15.5 t70 -66.98 -47.25 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.323 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -60.33 -34.12 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.182 177.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.21 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.03 -29.46 66.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.141 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -63.52 -35.04 79.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.127 0.489 . . . . 0.0 110.376 176.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 46.3 mt -83.77 -45.37 13.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.415 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -127.33 104.27 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.73 89.61 4.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.711 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.64 24.44 0.54 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.884 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -86.0 107.1 17.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.812 HG13 HG13 ' A' ' 717' ' ' VAL . 84.0 t -57.05 -41.05 76.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.747 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.5 -38.76 85.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.79 76.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.702 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -64.99 -52.0 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.977 0.418 . . . . 0.0 110.765 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.6 t80 -58.67 -43.18 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.29 -20.75 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.287 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -70.87 -39.06 73.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 698' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -57.46 -49.77 75.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.111 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.3 mt -59.29 -40.42 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.393 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 700' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -65.18 -29.56 70.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.33 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -79.03 -44.02 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.31 -0.244 . . . . 0.0 110.545 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -56.34 -42.42 77.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.48 -22.81 75.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.429 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.16 12.87 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt 66.45 27.66 9.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.193 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -104.07 84.59 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.647 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 707' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 23.7 m-85 -82.25 -34.82 28.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.652 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -66.0 -36.8 84.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 109.53 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.68 -41.68 71.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.801 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 714' ' ' LEU . 13.6 t -67.26 -34.8 78.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.891 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.19 -34.4 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.219 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.99 -47.65 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 717' ' ' VAL . 72.2 m-20 -73.42 -33.11 64.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.151 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.3 mt -67.79 -51.87 43.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -59.44 -31.73 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.267 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.539 ' O ' HD13 ' A' ' 720' ' ' LEU . 26.8 tptt -63.46 -49.74 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 176.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.812 HG13 HG13 ' A' ' 691' ' ' VAL . 77.3 t -54.94 -37.07 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.464 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 714' ' ' LEU . 38.3 mm -62.98 -28.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.665 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.2 -50.37 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.997 0.427 . . . . 0.0 109.893 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 716' ' ' LYS . 10.1 mp -56.11 -59.79 4.41 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.934 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -130.5 90.43 41.0 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.276 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.73 5.56 2.85 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.149 2.566 . . . . 0.0 113.239 -177.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 13.1 m -101.13 -3.53 29.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.064 0.459 . . . . 0.0 110.432 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.5 mt -80.33 101.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.175 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.09 -40.62 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.2 pt-20 -58.69 -35.35 72.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.394 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.45 -33.81 71.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.021 0.438 . . . . 0.0 110.646 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 728' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 731' ' ' LEU . 97.8 mttt -72.77 -27.46 62.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.337 0.589 . . . . 0.0 109.733 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.26 -19.9 52.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.323 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.1 mm-40 -82.95 -46.31 13.08 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 732' ' ' GLU . 4.6 pp -60.73 -33.2 72.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 -178.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.541 ' N ' HD12 ' A' ' 731' ' ' LEU . 7.4 pt-20 -72.38 -38.95 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 9.0 tp10 -67.45 -50.44 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.293 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.451 ' HA ' HD12 ' A' ' 737' ' ' LEU . 88.5 t -61.21 -33.05 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.095 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 60.0 m -65.32 -38.7 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.507 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 46.7 mtm-85 -71.39 -34.15 70.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 83.4 mt -68.06 -44.2 76.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.591 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 738' ' ' LEU . . . . . 0.407 HD13 ' HB2' ' A' ' 707' ' ' TYR . 53.0 tp -68.13 -29.41 68.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.678 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -82.28 -11.85 58.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.108 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 50.4 mt -67.04 166.85 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 110.583 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -89.16 -9.79 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.848 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.895 178.324 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.8 128.24 19.5 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.941 2.428 . . . . 0.0 112.036 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -79.92 -19.81 47.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 63.9 mtp -82.09 107.62 14.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 0.0 110.348 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 64.8 p -108.74 -174.01 2.41 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.649 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.7 t80 -56.88 -38.29 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.154 0.502 . . . . 0.0 110.029 174.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 624' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 624' ' ' LYS . 1.2 mptp? -68.01 -43.81 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.29 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.06 75.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.677 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.09 -44.87 83.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.659 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.88 -56.48 21.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.004 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.7 mm-40 -59.76 -44.76 93.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.626 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.48 -36.53 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.629 0.252 . . . . 0.0 110.334 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -63.23 -40.83 99.52 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.592 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -59.46 -38.11 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 110.253 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 26.5 mm-40 -66.44 -31.49 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.588 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 56.1 m -72.46 -39.3 67.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.114 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 630' ' ' GLY . 93.9 t -62.2 -46.35 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.878 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.66 -25.26 62.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.006 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.26 -4.86 54.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.26 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 63.59 25.9 14.49 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.93 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.82 65.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.18 -29.26 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.06 -170.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.38 -32.44 73.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 26.5 t70 -82.71 -33.5 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.059 0.457 . . . . 0.0 109.924 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 642' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -60.4 -38.62 84.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.807 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.408 HD11 HD12 ' A' ' 670' ' ' LEU . 91.3 mt -54.18 -48.2 71.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.805 177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 33.5 t -60.74 -37.91 83.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.613 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 31.3 mmmt -67.89 -51.48 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 34.2 m-85 -66.55 -32.17 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.593 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 49.6 m -68.49 -27.29 66.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.07 -23.31 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.2 m -66.51 -39.36 88.63 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.76 -10.82 60.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.757 0.789 . . . . 0.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -78.11 -26.43 48.01 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.912 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 40.7 mt -99.57 -51.46 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.26 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.508 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 33.7 t30 -139.86 132.84 29.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -173.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -122.2 18.23 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.401 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -105.68 10.82 32.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.312 0.577 . . . . 0.0 110.332 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.37 99.39 9.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.661 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 9.2 p -62.15 -25.4 67.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.71 72.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.344 . . . . 0.0 111.329 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 48.6 mm -66.35 -46.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.113 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -67.43 -45.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.334 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 25.8 p -63.62 -41.66 98.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.692 0.282 . . . . 0.0 111.383 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -75.78 -32.62 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -67.45 -38.95 85.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.66 -43.28 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.666 175.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.45 -42.4 82.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.9 -40.35 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.889 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 14.4 m-85 -65.0 -40.36 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.382 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -57.65 -40.08 78.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.886 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.4 -32.55 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 643' ' ' LEU . 67.8 mt -91.01 12.53 19.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 12.7 t 63.86 26.04 14.18 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.276 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -103.96 77.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 109.565 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -71.94 -42.4 66.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.5 -172.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.31 -37.52 75.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.504 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -68.32 -50.48 53.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.132 0.491 . . . . 0.0 109.912 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -60.76 -35.07 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.498 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.495 ' HB2' ' HB1' ' A' ' 700' ' ' ALA . 29.1 tttt -67.53 -47.2 70.59 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 -177.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 678' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 681' ' ' ASP . 47.2 mt-30 -68.59 -34.15 75.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.5 -46.35 89.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.574 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.65 -32.07 73.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.993 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 678' ' ' GLN . 28.1 m-20 -60.51 -45.62 93.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.541 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 81.0 mm-40 -64.69 -39.5 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.754 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.44 93.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.49 -27.16 63.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.531 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -70.09 -20.31 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.4 mt -97.44 -43.27 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -122.81 103.78 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.991 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.13 89.15 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.104 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.55 16.13 1.35 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.054 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -75.21 105.24 6.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.629 HG13 HG13 ' A' ' 717' ' ' VAL . 88.7 t -59.01 -39.53 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.101 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.96 -32.2 73.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.617 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.88 66.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.66 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -66.01 -49.13 68.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.088 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.536 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 78.5 t80 -58.33 -43.9 88.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.513 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -80.36 -26.89 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.563 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -69.41 -36.93 77.19 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 698' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -60.56 -47.47 86.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.754 174.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 88.6 mt -59.59 -39.21 83.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 700' ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' ' 677' ' ' LYS . . . -67.71 -50.9 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.477 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 38.8 m-70 -55.6 -42.61 75.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 110.144 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.84 -46.02 81.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.118 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.07 -21.02 73.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.444 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.43 6.54 48.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.362 . . . . 0.0 110.462 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 65.4 mttp 65.36 24.22 12.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -94.69 66.65 3.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -75.57 -33.8 60.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.382 -168.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -63.89 -33.59 76.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.372 0.606 . . . . 0.0 109.639 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 709' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 709' ' ' LYS . 29.9 mmmt -77.08 -43.19 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 20.0 t -62.31 -41.03 98.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.467 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.69 -31.35 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.699 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.81 -38.07 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.979 0.418 . . . . 0.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 717' ' ' VAL . 84.3 m-20 -79.08 -37.42 38.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.603 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.6 mt -65.06 -46.28 81.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.367 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 24.0 m-80 -62.22 -37.71 86.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.82 -44.51 90.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.404 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.629 HG13 HG13 ' A' ' 691' ' ' VAL . 76.2 t -60.65 -37.57 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.699 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 714' ' ' LEU . 42.6 mm -66.48 -29.45 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.054 0.454 . . . . 0.0 110.547 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 53.2 mt -76.84 -43.3 36.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.31 -48.04 58.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.815 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -144.35 91.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.111 0.481 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.88 7.64 2.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.008 2.472 . . . . 0.0 112.642 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.5 m -93.15 -5.95 49.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 727' ' ' ALA . 25.1 mt -84.02 103.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.151 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.1 -33.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.232 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 32.9 mt-10 -54.07 -46.85 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.784 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.99 -27.06 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 -177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.17 -31.88 70.82 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.291 0.567 . . . . 0.0 110.06 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.7 mmt -85.35 -27.88 25.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.851 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 734' ' ' VAL . 16.8 mm-40 -77.52 -45.01 26.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.341 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.3 OUTLIER -68.57 -30.09 68.78 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.083 -176.105 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.64 -35.81 75.54 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.92 -50.75 39.04 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.088 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.562 ' HA ' HD12 ' A' ' 737' ' ' LEU . 86.4 t -58.46 -34.77 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 98.6 m -60.92 -41.32 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 31.2 mtm-85 -76.47 -36.24 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.607 . . . . 0.0 109.598 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 734' ' ' VAL . 68.9 mt -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.747 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.18 -33.67 76.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.773 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.37 -25.45 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.862 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 77.7 mt -73.32 163.33 28.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.439 . . . . 0.0 110.273 175.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -105.61 -34.43 7.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -177.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.4 120.94 9.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.85 2.367 . . . . 0.0 112.381 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -86.93 -35.2 19.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.05 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.47 131.87 51.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.239 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' THR . . . . . 0.49 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 43.6 p -113.62 177.01 4.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.9 t80 -57.33 -45.5 84.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.023 0.439 . . . . 0.0 110.228 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -66.24 -41.54 89.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.645 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.49 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -65.29 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.664 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.75 -38.05 62.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' LYS . . . . . 0.412 ' HD3' HD11 ' A' ' 659' ' ' ILE . 29.8 ttpp -71.8 -36.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 629' ' ' GLU . 10.1 pt-20 -66.23 -43.32 86.96 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.735 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 628' ' ' GLU . 8.9 pt-20 -74.18 -28.85 61.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.45 -44.69 97.25 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.38 -36.1 73.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 110.446 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.3 mm-40 -66.35 -42.45 88.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.422 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 81.3 m -64.26 -36.92 85.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 630' ' ' GLY . 88.0 t -61.93 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.92 -24.47 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.845 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.5 -10.43 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.435 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 71.54 22.15 4.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.871 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -104.99 73.15 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.689 0.757 . . . . 0.0 109.11 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 669' ' ' LYS . 77.8 m-85 -74.99 -32.05 61.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.688 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -58.89 -34.59 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.251 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 6.6 m-20 -86.22 -32.1 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.589 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.34 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 98.6 mt -52.5 -48.15 66.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 22.2 t -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.746 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 645' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 71.5 mmtt -58.13 -52.18 66.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.326 0.584 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.402 ' HB3' HG23 ' A' ' 659' ' ' ILE . 36.3 m-85 -67.99 -28.36 67.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.415 -178.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.3 m -65.96 -35.98 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.959 0.409 . . . . 0.0 110.335 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.01 -30.6 63.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.219 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.7 m -62.06 -42.64 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.263 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.5 -32.13 72.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.29 -29.56 70.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.37 0.605 . . . . 0.0 110.049 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.1 mt -90.36 -47.81 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.558 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -146.77 125.64 12.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -108.78 1.81 21.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.416 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.8 mmtm -95.44 16.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.44 . . . . 0.0 110.949 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -105.53 108.07 19.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.468 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 15.7 p -67.21 -23.52 65.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.192 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.53 80.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.412 HD11 ' HD3' ' A' ' 627' ' ' LYS . 48.5 mm -64.5 -53.21 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.653 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 63.2 m-85 -59.08 -47.11 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.556 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.6 p -60.61 -35.16 75.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -75.57 -39.06 58.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.117 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -61.7 -41.44 97.61 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.83 -46.56 84.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.56 -40.97 84.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 110.29 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.493 ' HA ' ' CD2' ' A' ' 639' ' ' TYR . 84.7 m -65.01 -49.13 71.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.573 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 12.2 m-85 -56.11 -41.57 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.33 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.2 mt -55.36 -38.02 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.511 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 33.4 mmtp -77.28 -23.04 51.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.555 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.48 11.07 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.814 0.34 . . . . 0.0 110.341 173.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.95 20.98 12.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 50.4 mt-30 -90.05 65.54 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.323 0.582 . . . . 0.0 109.484 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 41.6 m-85 -69.13 -36.33 77.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.367 -172.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.76 -45.62 85.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.63 -36.66 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.341 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.34 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.999 0.428 . . . . 0.0 110.786 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.7 ttmt -56.43 -48.93 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.71 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -68.14 -38.42 82.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.496 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -64.78 -43.36 93.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.822 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.997 0.427 . . . . 0.0 110.122 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 16.1 t70 -63.89 -48.72 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.305 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 79.5 mm-40 -60.13 -35.26 74.89 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.22 83.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.747 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.13 -29.63 60.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 72.5 mm-40 -60.63 -35.36 75.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.298 0.57 . . . . 0.0 109.766 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 655' ' ' LYS . 30.5 mt -88.46 -38.47 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.101 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.78 104.14 7.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.58 88.92 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.539 . . . . 0.0 110.076 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.77 20.09 0.7 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.762 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -86.74 107.13 18.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 717' ' ' VAL . 50.2 t -58.42 -41.46 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.609 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.12 -36.4 77.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -44.49 68.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.57 -51.9 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.475 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.9 t80 -59.52 -41.63 90.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.329 -175.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.41 -25.71 38.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.565 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -71.31 -36.37 71.58 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.65 98.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.496 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 92.2 mt -64.94 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 700' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -63.31 -50.88 68.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.492 177.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.507 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 49.3 m-70 -61.06 -39.04 88.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.922 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.71 -38.64 72.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.817 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.76 -29.77 58.86 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.527 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.59 7.84 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 110.99 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 65.42 33.62 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' ASN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 709' ' ' LYS . 42.4 m-80 -106.62 65.91 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -70.99 -32.03 68.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 708' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 712' ' ' ILE . 58.0 tp60 -66.28 -40.04 89.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.161 0.505 . . . . 0.0 109.667 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 709' ' ' LYS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 706' ' ' ASN . 29.0 mmtp -69.3 -41.47 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.0 t -62.02 -42.83 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.116 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.13 -34.38 71.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.496 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 712' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.6 mt -62.81 -35.85 72.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.012 0.434 . . . . 0.0 110.474 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 717' ' ' VAL . 63.9 m-20 -81.51 -36.52 29.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.0 mt -66.36 -48.13 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.526 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.42 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.1 m-80 -61.9 -31.24 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 176.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.634 ' O ' HD22 ' A' ' 720' ' ' LEU . 17.7 tptm -66.08 -45.16 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.355 176.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 691' ' ' VAL . 71.4 t -55.72 -38.6 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.704 175.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.8 mm -62.04 -25.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.628 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.0 mt -75.57 -55.53 5.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.738 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -57.52 -59.02 5.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.377 0.608 . . . . 0.0 111.256 176.015 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.36 95.08 8.31 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.193 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 8.41 3.85 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.032 2.488 . . . . 0.0 112.729 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 5.4 t -96.01 -7.54 36.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.423 0.63 . . . . 0.0 109.583 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 727' ' ' ALA . 21.4 mt -74.06 108.15 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.882 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.6 mm -60.68 -38.67 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.333 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -56.88 -45.88 82.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.96 -33.75 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.808 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -72.99 -27.81 62.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.318 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 729' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.9 mmt -86.41 -22.65 26.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.95 -52.13 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.626 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.2 -25.3 67.64 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.108 -173.341 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.506 ' N ' HD13 ' A' ' 731' ' ' LEU . 6.2 pt-20 -72.46 -36.67 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.969 0.414 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.492 ' CD ' HH21 ' A' ' 736' ' ' ARG . 8.8 tp10 -79.68 -43.64 22.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.411 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 737' ' ' LEU . 94.0 t -60.88 -32.56 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 -34.51 78.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 55.7 mtm-85 -79.73 -37.49 35.44 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 734' ' ' VAL . 83.4 mt -60.84 -43.18 98.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.424 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.92 -33.35 75.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.763 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -81.54 -18.97 43.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.726 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 45.7 mt -78.38 158.22 28.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.36 -178.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -101.86 -11.81 18.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.381 177.739 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.87 -46.51 25.79 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.714 2.276 . . . . 0.0 112.1 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -93.87 75.98 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.433 0.635 . . . . 0.0 110.015 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 1.6 mmt -113.9 128.87 56.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.709 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.1 p -104.44 173.19 6.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.768 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 623' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.86 -42.55 93.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.159 0.505 . . . . 0.0 110.082 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -64.57 -54.86 25.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.513 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.56 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.331 0.395 . . . . 0.0 111.319 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 70.0 mt -62.44 -44.95 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.18 -44.83 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.164 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.57 -31.33 66.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.43 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.7 -38.39 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.753 0.311 . . . . 0.0 110.244 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.15 84.89 Favored Glycine 0 N--CA 1.454 -0.141 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.048 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.941 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.1 -29.62 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 64.9 m -61.5 -39.46 91.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.45 -42.75 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.28 -34.18 77.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.29 -5.75 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.308 0.575 . . . . 0.0 110.851 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.76 35.14 6.99 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.174 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -106.22 65.03 0.68 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.496 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 78.1 m-85 -69.62 -27.8 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.188 -170.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 640' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 670' ' ' LEU . 54.0 mttm -60.54 -36.63 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.155 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.88 -38.41 25.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.61 -36.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.209 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 670' ' ' LEU . 78.8 mt -52.77 -48.78 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 176.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 23.0 t -64.29 -43.38 94.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.472 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -59.82 -48.37 81.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' ' 659' ' ' ILE . 32.0 m-85 -69.65 -29.96 67.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.1 m -69.79 -28.6 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.393 . . . . 0.0 110.29 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 644' ' ' SER . 21.2 mm-40 -69.13 -36.54 77.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.803 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 649' ' ' CYS . . . . . . . . . . . . . 77.0 m -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.24 -37.97 75.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.084 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.03 -24.28 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.763 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 29.9 mt -92.65 -41.08 12.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.349 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -152.85 113.75 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.434 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -96.65 6.03 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.94 0.4 . . . . 0.0 110.398 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' LYS . . . . . 0.421 ' C ' HD13 ' A' ' 686' ' ' LEU . 47.8 mmtm -92.77 -0.34 57.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.727 -178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -94.56 112.5 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.182 0.515 . . . . 0.0 111.063 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.0 p -66.72 -28.78 68.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.633 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.31 79.26 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 646' ' ' TYR . 50.3 mm -61.87 -48.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.461 ' HB2' ' HB2' ' A' ' 683' ' ' ALA . 77.9 m-85 -60.51 -44.52 95.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.179 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 48.7 p -64.99 -31.85 73.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.94 0.4 . . . . 0.0 111.41 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -78.75 -36.39 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.708 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -65.2 -41.59 94.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.651 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.78 -45.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.249 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.64 -40.28 78.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.092 0.472 . . . . 0.0 110.644 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.73 -41.45 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.552 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -61.24 -40.9 95.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.214 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 90.8 mt -57.37 -44.23 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.496 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 14.2 mptt -70.02 -24.85 63.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.832 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 643' ' ' LEU . 32.0 mt -96.55 12.94 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.254 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 62.87 28.67 16.47 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.073 0.463 . . . . 0.0 111.372 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.11 60.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.672 0.748 . . . . 0.0 109.659 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.29 -35.25 79.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.052 -173.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.62 -38.68 88.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -77.26 -35.37 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.476 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.64 93.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.404 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.1 ttmt -54.58 -47.64 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.627 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.94 -42.15 97.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.374 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 62.0 m -63.68 -40.33 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.7 t70 -65.62 -39.44 91.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.059 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.546 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 24.4 mm-40 -63.78 -37.38 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.582 175.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 683' ' ' ALA . . . . . 0.461 ' HB2' ' HB2' ' A' ' 660' ' ' TYR . . . -64.97 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.2 mt -70.74 -28.19 64.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.351 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.5 mt-30 -64.36 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.185 0.516 . . . . 0.0 109.876 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.3 mt -81.33 -44.71 17.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.35 104.04 7.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.71 92.57 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.395 0.617 . . . . 0.0 109.901 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.09 15.13 0.71 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.186 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -84.84 109.55 18.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 109.597 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.852 HG13 HG13 ' A' ' 717' ' ' VAL . 98.5 t -55.5 -42.28 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.702 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 67.6 mttm -62.01 -39.58 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.14 83.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -64.07 -47.82 78.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.208 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.672 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.6 t80 -61.36 -45.93 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.127 -176.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -65.41 -39.17 91.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.476 0.179 . . . . 0.0 110.855 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 47.3 ttp180 -68.34 -39.67 81.84 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.481 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.685 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 78.3 mt -66.46 -38.28 87.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.44 70.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.532 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.8 m-70 -59.59 -38.2 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.958 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -57.38 -41.76 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.379 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.66 -22.65 74.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 56.3 mt -94.15 10.57 33.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.981 0.42 . . . . 0.0 110.246 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.09 34.17 23.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.149 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 706' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 92.3 m-20 -105.17 67.66 0.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.314 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.423 -168.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 708' ' ' GLN . . . . . 0.448 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.0 tp60 -66.07 -36.64 83.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.498 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.5 t -63.41 -42.41 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 45.9 mt -57.92 -34.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.442 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 712' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 708' ' ' GLN . 79.7 mt -58.69 -46.55 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.608 177.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.3 m-20 -76.53 -32.65 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.587 ' O ' HG12 ' A' ' 718' ' ' ILE . 95.9 mt -67.61 -48.4 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.414 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.5 m-80 -60.82 -26.87 67.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.637 175.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.609 ' O ' HD22 ' A' ' 720' ' ' LEU . 15.2 tptm -72.47 -44.89 61.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.476 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.852 HG13 HG13 ' A' ' 691' ' ' VAL . 72.4 t -57.05 -37.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.2 mm -62.65 -25.39 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.623 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 46.6 mt -73.43 -58.58 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.687 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.4 OUTLIER -58.61 -59.1 5.92 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 111.29 177.319 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -130.24 89.75 43.89 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.987 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.97 3.93 6.18 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.048 2.499 . . . . 0.0 113.395 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.3 m -99.24 -0.11 42.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.68 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.0 mt -80.68 102.74 6.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 729' ' ' MET . 48.5 mm -60.5 -38.01 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.638 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 726' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.0 mm-40 -57.05 -41.47 78.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.837 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.91 -32.24 70.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.722 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -71.21 -27.36 63.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.29 0.567 . . . . 0.0 110.079 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 729' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.6 mmt -85.81 -25.16 26.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.433 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 18.0 mm-40 -75.01 -49.23 20.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.797 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 714' ' ' LEU . 1.3 pt? -67.57 -26.29 66.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.884 -175.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.94 -37.31 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.731 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 31.2 tt0 -66.64 -50.62 62.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -61.94 -30.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.214 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 88.8 m -64.08 -38.68 91.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.258 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.496 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 58.2 mtm-85 -75.64 -29.67 59.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 109.699 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 734' ' ' VAL . 79.1 mt -69.64 -37.94 76.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.91 174.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.06 -31.87 70.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.395 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -66.87 -28.43 68.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.547 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 70.5 mt -70.15 160.49 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -103.17 -29.55 11.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.023 -173.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.459 179.463 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.56 -18.19 17.75 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.604 2.203 . . . . 0.0 112.899 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -109.49 -46.71 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 80.1 mtp -67.93 133.59 49.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.077 0.465 . . . . 0.0 109.753 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 52.6 p -87.89 173.78 8.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.697 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 89.0 t80 -55.59 -42.94 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -64.67 -43.11 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.125 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -63.0 -45.88 90.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.512 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.69 -44.77 95.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.471 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.68 -48.67 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.513 . . . . 0.0 110.694 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.41 -21.71 48.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.328 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.03 -32.0 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.0 -35.98 92.53 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.5 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.87 -41.14 86.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 110.156 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.15 -38.18 89.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.717 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.18 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.427 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -40.44 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.679 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -65.31 -33.47 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.659 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.45 -0.76 47.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.741 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp 67.31 28.98 7.77 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.67 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 641' ' ' ASP . 47.4 t30 -104.12 76.9 1.38 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.058 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.496 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 49.4 m-85 -77.89 -34.62 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.297 -170.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.41 -35.05 78.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.77 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' ASP . . . . . 0.437 ' HB2' ' ND2' ' A' ' 638' ' ' ASN . 1.1 m-20 -89.25 -25.25 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.665 0.269 . . . . 0.0 110.672 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.92 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.224 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 90.8 mt -54.16 -45.7 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.539 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 14.9 m -63.87 -40.0 95.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.801 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.5 -48.25 82.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.559 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -70.29 -26.6 63.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.209 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 19.2 t -68.5 -33.87 74.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.5 mm-40 -64.1 -34.89 79.07 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.976 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 61.1 m -66.45 -38.57 87.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.723 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.73 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.273 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -75.69 -31.73 59.84 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.988 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 50.3 mt -98.15 -53.07 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.094 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.482 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 8.8 t30 -140.58 110.35 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 111.633 -171.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -102.61 20.22 17.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.864 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -95.72 -11.31 27.24 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.268 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' GLU . . . . . 0.422 ' CG ' HG12 ' A' ' 659' ' ' ILE . 9.3 tp10 -85.68 98.24 10.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.657 -177.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.308 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.4 71.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.428 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 656' ' ' GLU . 48.0 mm -65.47 -45.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.19 0.519 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 97.3 m-85 -64.95 -44.68 88.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.854 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -65.39 -33.36 75.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -72.65 -39.37 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.863 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -64.49 -46.67 81.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.625 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.704 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.39 -46.98 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.788 176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 639' ' ' TYR . 75.3 m -65.68 -45.02 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -56.26 -33.62 65.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.655 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.2 mt -58.8 -33.64 70.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' LYS . . . . . 0.462 ' N ' ' HD2' ' A' ' 669' ' ' LYS . 0.4 OUTLIER -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.125 -177.203 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.58 7.74 25.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.095 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 22.5 t 64.81 23.97 12.75 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.375 0.607 . . . . 0.0 110.876 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -100.89 55.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.526 0.679 . . . . 0.0 109.794 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -62.68 -31.33 72.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.526 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.93 -38.95 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.837 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.73 -33.28 25.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.675 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.69 82.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.958 0.408 . . . . 0.0 110.736 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -56.22 -44.8 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.725 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.14 -39.72 63.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.297 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -61.58 -44.64 96.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.7 m -60.54 -34.61 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 27.4 t70 -67.03 -48.84 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 88.1 mm-40 -59.69 -34.16 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.42 96.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.629 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.74 -26.14 61.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 80.6 mm-40 -65.42 -37.25 86.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.236 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 40.3 mt -80.31 -42.63 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.343 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.65 103.79 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.315 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.46 89.78 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.374 0.607 . . . . 0.0 110.214 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 136.59 32.57 0.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.861 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.625 HG13 HG13 ' A' ' 717' ' ' VAL . 61.5 t -58.64 -37.5 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.556 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.15 -36.64 78.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.7 -42.92 70.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.297 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.405 ' CE2' ' HG2' ' A' ' 716' ' ' LYS . 67.3 m-85 -65.74 -49.77 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.381 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.511 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 85.7 t80 -60.1 -41.01 91.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.309 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.39 -22.88 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.593 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.468 ' HD2' ' OD2' ' A' ' 713' ' ' ASP . 23.2 ttm180 -70.15 -39.33 75.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 170.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.34 91.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.4 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -65.08 -37.03 86.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.04 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -61.79 -38.99 90.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.599 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -57.18 -41.0 78.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.431 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.91 -24.76 76.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.331 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 53.7 mt -94.09 10.35 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.18 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.28 28.13 17.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.325 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -96.35 70.42 2.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 707' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 737' ' ' LEU . 27.0 m-85 -77.32 -28.46 53.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.271 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.3 -39.4 85.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -68.94 -47.09 66.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.668 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.7 t -59.35 -42.3 91.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.475 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.59 -42.79 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.994 0.426 . . . . 0.0 110.302 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.468 ' OD2' ' HD2' ' A' ' 697' ' ' ARG . 25.6 m-20 -77.34 -33.62 55.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' ' 731' ' ' LEU . 98.9 mt -68.31 -47.04 68.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.544 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 42.2 m-80 -62.16 -29.83 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.656 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 716' ' ' LYS . . . . . 0.405 ' HG2' ' CE2' ' A' ' 694' ' ' PHE . 13.4 tppt? -66.77 -43.94 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.625 HG13 HG13 ' A' ' 691' ' ' VAL . 80.5 t -58.23 -36.15 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.379 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.2 mm -65.4 -29.34 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 110.662 178.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.6 mt -76.73 -39.85 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.293 0.568 . . . . 0.0 110.504 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 80.1 mt -76.86 -44.82 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.687 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -145.77 94.05 5.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.013 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.25 3.92 5.32 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.981 2.454 . . . . 0.0 113.309 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 35.7 m -98.73 -1.54 40.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.94 0.4 . . . . 0.0 110.536 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.495 HG22 ' H ' ' A' ' 727' ' ' ALA . 17.4 mt -78.87 99.67 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.502 . . . . 0.0 110.082 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.71 -35.0 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.457 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.79 -42.84 76.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.822 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.495 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -71.3 -33.2 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.4 -30.36 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.5 mmt -86.03 -25.76 25.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.152 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.13 -44.66 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.548 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.4 OUTLIER -68.07 -26.7 65.98 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.765 -176.504 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.4 pt-20 -73.31 -37.9 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 733' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 6.9 tp10 -66.05 -51.19 60.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.826 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 737' ' ' LEU . 89.3 t -62.39 -33.63 60.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.522 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 96.2 m -63.47 -37.22 86.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.638 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 31.9 mtm180 -77.82 -38.77 45.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 734' ' ' VAL . 91.4 mt -58.36 -42.52 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 174.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.06 -30.84 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.834 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.15 -2.19 57.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.467 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 90.0 mt -87.57 -169.67 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.07 -64.73 1.12 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.046 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.712 -175.553 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.64 -36.08 88.59 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.82 2.347 . . . . 0.0 111.774 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 621' ' ' MET . 48.4 t-80 -115.51 112.96 23.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 621' ' ' MET . . . . . 0.482 ' HE2' HD23 ' A' ' 626' ' ' LEU . 81.1 mtp 71.81 113.01 0.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.028 0.83 . . . . 0.0 111.038 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 45.0 p -88.93 -178.05 5.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.823 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 73.6 t80 -55.82 -44.63 78.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.24 0.543 . . . . 0.0 110.056 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 624' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 59.9 mttp -71.57 -41.27 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.784 -176.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.8 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.41 . . . . 0.0 110.629 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' LEU . . . . . 0.482 HD23 ' HE2' ' A' ' 621' ' ' MET . 33.1 mt -60.17 -41.27 92.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.701 175.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -64.52 -49.32 71.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.42 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 46.6 mt-10 -60.0 -52.61 64.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.419 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.41 -29.87 68.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.656 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.45 -41.92 99.74 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.47 -40.14 85.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.054 0.454 . . . . 0.0 110.128 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.3 mm-40 -62.53 -39.14 92.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.98 -41.48 95.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.303 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 630' ' ' GLY . 92.3 t -59.9 -47.47 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.756 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -67.32 -31.86 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.073 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.07 3.81 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.298 0.571 . . . . 0.0 110.496 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm 62.28 29.34 17.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.302 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -108.65 73.03 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.65 0.738 . . . . 0.0 109.073 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.534 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -74.63 -23.09 58.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.516 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -59.31 -45.92 89.99 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.773 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -75.59 -36.22 60.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.43 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.658 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -52.18 -50.91 60.92 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 648' ' ' GLU . 12.9 m -64.02 -46.05 86.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.879 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.2 -46.49 90.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.519 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 662' ' ' ASN . 27.3 m-85 -67.71 -31.96 72.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.403 . . . . 0.0 110.79 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 647' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 53.5 m -71.38 -23.61 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.11 0.481 . . . . 0.0 110.437 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 644' ' ' SER . 45.1 mt-10 -76.45 -28.41 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.063 173.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 84.1 m -65.61 -45.24 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.163 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.76 -28.46 68.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.313 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 651' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 647' ' ' SER . 65.3 mttp -61.86 -26.55 68.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 110.605 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.29 -46.74 12.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.778 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.472 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 34.2 t30 -142.16 122.91 14.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.614 -178.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -105.21 6.48 33.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -100.42 16.43 24.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.999 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -105.9 98.35 8.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.056 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' CYS . . . . . 0.477 ' HB2' ' HB1' ' A' ' 683' ' ' ALA . 29.8 p -59.89 -25.99 65.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.703 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.89 -28.79 70.29 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.568 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.0 mm -71.18 -44.09 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 110.153 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' TYR . . . . . 0.473 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.5 m-85 -63.29 -44.64 94.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.17 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.5 p -66.07 -32.66 74.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' ASN . . . . . 0.414 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 75.5 m-20 -74.59 -38.59 62.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.074 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -64.09 -42.64 96.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.6 -45.7 81.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.42 -42.16 77.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.9 m -68.03 -46.82 70.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.669 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 17.8 m-85 -56.36 -38.23 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.458 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 93.6 mt -56.4 -36.12 68.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.9 -37.4 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.74 14.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.593 0.235 . . . . 0.0 111.155 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 9.8 t 66.17 21.04 11.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.066 174.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 76.1 mt-30 -100.79 65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.401 0.62 . . . . 0.0 109.941 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 673' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 65.2 m-85 -69.42 -32.18 70.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.954 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.53 -42.58 78.26 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' GLU . . . . . 0.56 ' HA ' ' NE2' ' A' ' 678' ' ' GLN . 11.6 mm-40 -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -60.58 -43.38 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.194 178.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -57.74 -42.39 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' A' ' 675' ' ' GLU . 37.0 mt-30 -59.28 -46.47 88.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.995 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 679' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.6 OUTLIER -63.2 -38.38 90.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 62.1 m -57.37 -49.25 76.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -65.17 -33.47 76.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.563 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -60.57 -27.39 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.211 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 683' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 657' ' ' CYS . . . -80.88 -26.93 36.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.286 0.565 . . . . 0.0 109.763 -176.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 684' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' A' ' 694' ' ' PHE . 4.5 mm? -73.34 -31.5 64.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.558 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -63.62 -34.93 78.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.136 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.0 mt -84.59 -44.54 13.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.424 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.76 104.34 7.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.87 90.57 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.182 0.515 . . . . 0.0 110.158 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.46 21.57 1.03 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.09 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.59 105.5 11.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 110.27 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 717' ' ' VAL . 87.3 t -58.25 -38.17 67.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.229 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 692' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 76.0 mmtt -56.65 -35.42 68.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.441 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -77.59 -38.13 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.456 -176.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 694' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 684' ' ' LEU . 60.7 m-85 -66.44 -40.57 89.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 110.035 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.543 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 60.1 t80 -60.94 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.5 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 696' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.8 mmt180 -66.17 -46.05 78.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.486 ' HD2' ' OD1' ' A' ' 713' ' ' ASP . 19.2 ttm180 -58.57 -41.64 86.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.75 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.85 75.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 80.0 mt -62.42 -37.55 86.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.229 0.537 . . . . 0.0 110.209 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 700' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -68.7 -27.43 65.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.439 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -80.75 -39.84 26.25 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.123 -0.36 . . . . 0.0 110.128 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.832 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.55 -20.81 74.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.947 -0.645 . . . . 0.0 112.851 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 60.3 mt -94.93 6.6 48.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 64.33 28.35 13.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.021 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -98.7 64.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -73.12 -30.83 63.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.491 -171.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.07 -32.18 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.627 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -81.83 -42.3 19.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.789 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.3 t -61.3 -40.58 94.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.233 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.3 -32.69 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.448 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.33 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.974 0.416 . . . . 0.0 110.428 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.486 ' OD1' ' HD2' ' A' ' 697' ' ' ARG . 38.4 m-20 -79.38 -36.11 39.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.7 mt -64.36 -46.57 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.246 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.641 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 19.0 m-80 -60.13 -38.72 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.89 -42.86 90.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.289 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 691' ' ' VAL . 74.2 t -59.57 -41.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.636 175.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -64.0 -33.26 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 110.746 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.8 mt -73.96 -39.85 63.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.03 -47.12 21.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.712 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -142.92 88.72 8.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.005 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.6 5.54 4.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.844 2.363 . . . . 0.0 113.299 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 22.3 m -96.93 -0.06 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.222 0.534 . . . . 0.0 110.206 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 727' ' ' ALA . 19.7 mt -82.27 106.25 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.25 -33.91 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.558 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -53.57 -49.36 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.7 -29.41 67.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.03 -178.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -72.48 -30.05 64.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.34 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.48 -28.62 23.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -77.19 -47.2 20.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.886 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -25.46 66.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.863 -174.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.604 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.0 pt-20 -77.09 -29.85 55.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 109.71 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.18 -46.22 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.094 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.0 t -59.94 -34.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.224 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 52.9 m -66.26 -35.31 80.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.525 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 736' ' ' ARG . . . . . 0.628 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 50.9 mtm180 -72.05 -41.15 67.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 734' ' ' VAL . 49.3 mt -59.32 -40.3 85.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.752 175.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.4 -35.08 78.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.086 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.9 -11.01 59.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.342 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 89.0 mt -76.17 171.21 14.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.773 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -74.66 -50.0 19.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.927 0.394 . . . . 0.0 110.196 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.325 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.61 137.92 28.47 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.666 2.244 . . . . 0.0 112.52 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -98.54 130.47 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.069 0.461 . . . . 0.0 110.204 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 90.3 mmm -109.06 135.1 50.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.57 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 40.3 p -113.68 171.4 7.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.691 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 623' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 84.2 t80 -58.07 -46.03 86.13 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 30.1 mtpp -61.31 -46.83 88.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.14 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 625' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -59.09 -49.32 78.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.13 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.68 -41.38 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.111 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -58.91 -41.09 86.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 38.8 mt-10 -73.34 -48.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.694 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 11.1 pt-20 -70.54 -26.59 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.841 -177.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.6 -37.12 88.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.72 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.74 -34.99 79.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.108 0.48 . . . . 0.0 110.295 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.307 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.38 -40.44 90.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.784 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.21 -42.49 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.002 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -73.89 -24.43 59.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.44 . . . . 0.0 110.712 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.98 -7.07 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.028 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 67.27 25.55 8.8 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.391 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -107.88 69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.113 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' TYR . . . . . 0.486 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 91.2 m-85 -70.64 -30.83 67.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.972 -172.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -66.39 -25.87 66.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.66 -36.24 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.893 0.377 . . . . 0.0 110.127 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.58 70.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.296 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 643' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 92.8 mt -54.02 -50.89 65.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.417 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 7.1 m -58.99 -45.37 90.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.45 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.96 -55.92 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' TYR . . . . . 0.435 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 24.4 m-85 -67.63 -32.92 73.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.71 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -67.08 -33.13 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.813 0.339 . . . . 0.0 110.681 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 644' ' ' SER . 12.3 mm-40 -72.63 -25.19 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 649' ' ' CYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 82.0 m -67.28 -36.8 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.99 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.99 -11.72 61.08 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 121.466 0.65 . . . . 0.0 111.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -76.39 -26.13 55.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.343 0.592 . . . . 0.0 109.755 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.67 -51.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.167 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' ASN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 41.0 t30 -139.25 128.77 24.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -174.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -118.88 16.89 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.082 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.16 10.75 37.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 0.0 110.365 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.79 100.77 10.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.849 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 29.1 p -62.02 -26.11 68.05 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.24 88.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.97 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' ILE . . . . . 0.683 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 49.8 mm -59.0 -34.96 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -74.56 -43.27 56.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.908 0.385 . . . . 0.0 110.913 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 14.9 p -67.54 -38.84 84.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -82.02 -24.49 35.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.66 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' ARG . . . . . 0.683 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -69.0 -41.33 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ALA . . . . . 0.541 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.71 -43.67 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.912 176.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.84 -40.85 81.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.04 0.447 . . . . 0.0 110.496 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 68.6 m -67.24 -45.4 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.37 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -58.28 -37.18 74.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.321 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -60.42 -31.61 70.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -79.46 -32.06 42.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.191 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.78 16.74 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.65 0.262 . . . . 0.0 110.812 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 48.6 t 57.52 39.81 27.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.382 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -110.4 67.53 0.65 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.338 0.589 . . . . 0.0 109.613 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -65.94 -39.75 90.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.612 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.96 -37.21 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.311 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -72.35 -51.07 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.279 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.77 -35.6 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.005 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 701' ' ' HIS . 26.4 tttt -68.4 -39.64 81.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.707 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.03 -33.14 61.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.699 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.26 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.729 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 680' ' ' CYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 74.3 m -63.33 -31.64 72.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 11.5 t70 -65.15 -44.64 87.94 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 682' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.8 mm100 -59.4 -39.76 84.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.438 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.29 95.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.959 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.41 -32.49 71.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -59.33 -35.13 73.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 686' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 28.2 mt -88.69 -40.99 12.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.752 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.79 103.18 7.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.49 95.31 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.374 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 125.85 19.24 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.06 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -82.84 105.18 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 717' ' ' VAL . 97.8 t -60.32 -38.21 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.157 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.0 -32.04 70.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.5 54.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.762 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -64.85 -50.14 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 695' ' ' TYR . . . . . 0.53 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 79.9 t80 -59.15 -47.26 85.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.639 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.8 -23.22 49.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.428 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 697' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 34.5 ttp180 -72.57 -37.65 68.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.66 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.513 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 699' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 71.1 mt -65.2 -39.05 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.111 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.36 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.705 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 701' ' ' HIS . . . . . 0.476 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 36.2 m-70 -55.57 -43.94 76.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -56.13 -44.74 79.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.687 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.74 75.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.336 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 69.5 mt -93.75 7.75 43.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.462 . . . . 0.0 110.038 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 62.84 31.31 16.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.907 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -100.0 72.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -76.14 -37.28 58.2 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.362 -169.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 708' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.1 tp60 -65.43 -36.9 85.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.36 -43.0 64.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.804 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.2 t -61.49 -40.77 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 711' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 735' ' ' THR . 49.6 mt -61.07 -32.86 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.625 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 712' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 708' ' ' GLN . 68.4 mt -63.43 -42.25 95.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.89 0.376 . . . . 0.0 110.197 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 713' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.7 m-20 -73.36 -39.44 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.541 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.1 mt -65.05 -47.73 76.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 715' ' ' ASN . . . . . 0.622 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 14.1 m-80 -59.37 -36.73 76.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.683 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -62.8 -43.21 99.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.667 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 717' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 691' ' ' VAL . 83.7 t -59.97 -37.71 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.254 176.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 718' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 714' ' ' LEU . 48.2 mm -64.28 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.657 177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 719' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 61.8 mt -78.84 -46.41 18.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.114 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.08 -44.23 60.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.87 88.64 8.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.84 6.87 3.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.859 2.373 . . . . 0.0 113.035 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.2 m -99.14 -2.0 38.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 724' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 727' ' ' ALA . 27.0 mt -80.63 103.69 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 729' ' ' MET . 47.4 mm -61.84 -35.48 68.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.55 -46.86 70.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.699 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 727' ' ' ALA . . . . . 0.503 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.24 -32.79 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -67.12 -31.5 71.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.258 0.551 . . . . 0.0 110.192 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 729' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 23.8 mmt -86.39 -23.43 26.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.051 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.95 -44.77 16.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 731' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.9 OUTLIER -68.4 -29.64 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.986 -0.685 . . . . 0.0 110.552 -177.758 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -71.02 -27.93 64.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.017 0.437 . . . . 0.0 109.826 178.324 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.62 -51.85 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.406 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 734' ' ' VAL . . . . . 0.513 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.9 t -62.49 -32.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 735' ' ' THR . . . . . 0.407 ' HA ' HD11 ' A' ' 711' ' ' LEU . 56.4 m -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 110.387 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -80.98 -31.85 34.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 737' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.1 mt -64.72 -45.93 84.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.149 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.03 -28.55 69.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.369 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -87.08 -3.78 59.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.031 0.444 . . . . 0.0 111.373 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 740' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -103.8 150.77 23.8 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.508 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 741' ' ' LYS . . . . . 0.528 ' N ' HD12 ' A' ' 740' ' ' LEU . 14.5 tppt? -70.35 -8.43 50.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -169.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 742' ' ' ASP . . . . . 0.466 ' H ' ' HG ' ' A' ' 740' ' ' LEU . 13.6 t70 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.49 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.8 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.195 0.521 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -68.78 -41.42 78.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.709 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.11 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.55 -38.73 91.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.21 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.245 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.29 -50.55 71.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.51 -34.32 77.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.919 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -60.82 -42.7 99.63 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.486 173.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.25 -35.78 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 110.554 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 45.7 m -60.09 -36.49 77.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.767 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 630' ' ' GLY . 94.5 t -63.71 -45.07 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -71.75 -27.8 63.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 110.828 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.98 -6.81 58.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.287 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 66.97 23.98 9.7 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.16 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -107.2 70.94 0.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.415 ' HB3' ' HA ' ' A' ' 666' ' ' CYS . 40.3 m-85 -73.1 -26.43 61.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.181 -169.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -65.77 -30.01 70.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.85 -34.09 30.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -58.05 -38.95 77.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.0 mt -52.52 -48.46 66.02 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.517 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.3 m -59.42 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.989 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -58.11 -51.3 70.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.3 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 53.1 m -71.14 -28.56 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.249 -0.282 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.23 -31.09 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.038 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.9 m -62.44 -36.12 81.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.11 174.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 89.4 mt -72.62 -10.84 60.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.396 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -82.24 -27.61 32.36 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.201 0.524 . . . . 0.0 109.816 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.7 mt -92.46 -50.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.143 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -149.72 124.29 9.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -111.21 18.82 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.318 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -101.68 11.82 38.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.058 0.456 . . . . 0.0 110.734 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . 0.504 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.0 tp10 -104.25 98.48 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.492 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.38 -21.23 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.895 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.77 79.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.898 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.504 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.5 mm -66.05 -48.57 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.89 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 72.6 m-85 -64.06 -47.22 81.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.653 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.3 p -61.83 -38.62 88.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.695 0.283 . . . . 0.0 111.484 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -80.13 -29.97 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.55 0.214 . . . . 0.0 111.082 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.6 ttp180 -68.56 -39.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.4 -40.92 92.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.65 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 669' ' ' LYS . 54.3 tp -58.83 -43.68 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 639' ' ' TYR . 63.1 m -62.3 -38.53 89.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.623 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 14.8 m-85 -63.98 -42.85 97.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.0 mt -57.94 -35.56 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 665' ' ' LEU . 31.2 mmmt -76.75 -19.59 57.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.66 12.67 35.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.347 . . . . 0.0 110.412 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.4 m 63.69 21.05 12.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.651 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 50.6 mt-30 -94.01 72.89 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 109.701 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . 0.448 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 45.2 m-85 -71.57 -39.66 70.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.216 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.65 -37.84 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.938 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.11 -47.41 65.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.211 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.642 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.499 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -56.66 -44.66 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -71.19 -40.07 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.999 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -62.17 -40.42 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.692 176.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.4 -36.44 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.813 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.2 t70 -66.76 -42.42 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.112 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.3 mm100 -59.12 -35.37 73.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.75 82.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.894 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 52.3 mt -70.72 -29.21 65.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 80.0 mt-30 -61.74 -30.78 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.403 . . . . 0.0 110.336 174.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 41.9 mt -86.92 -45.9 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.287 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.71 103.45 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.954 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.22 90.93 4.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 139.41 12.16 0.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.773 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.4 106.28 10.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 717' ' ' VAL . 63.8 t -59.7 -36.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.432 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.62 -37.91 79.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.56 71.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.986 -177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -67.3 -50.85 58.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.053 0.454 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.587 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 88.0 t80 -59.1 -45.87 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.261 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -77.26 -22.95 51.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -72.17 -39.83 68.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.512 175.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 68.4 mt -63.53 -43.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.826 175.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -61.25 -50.19 74.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.903 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.499 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 42.0 m-70 -59.64 -42.23 92.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.94 -43.34 86.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.389 . . . . 0.0 110.262 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.83 74.36 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.517 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.12 9.24 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.047 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 66.21 23.11 10.92 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.212 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.58 78.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -79.68 -35.78 38.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.335 -170.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.471 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.8 tp-100 -65.08 -42.06 94.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.73 -45.42 89.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.173 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 32.0 t -61.94 -41.47 98.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.078 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.94 -33.47 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.291 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 708' ' ' GLN . 77.9 mt -62.67 -39.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 717' ' ' VAL . 44.1 m-20 -78.85 -35.49 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 89.2 mt -66.59 -49.15 67.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.677 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 31.8 m-80 -57.89 -38.45 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.712 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -61.3 -40.67 95.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.493 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 691' ' ' VAL . 72.8 t -61.63 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.0 mm -63.82 -31.17 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 44.2 mt -74.89 -39.89 61.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 110.551 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.66 -47.96 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.222 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -141.93 86.44 10.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.637 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.15 10.04 2.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.757 2.304 . . . . 0.0 112.307 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 41.2 t -94.41 -6.53 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.723 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.9 mt -82.19 105.02 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.341 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.35 -36.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.602 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 10.0 mm-40 -56.95 -41.36 78.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.669 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.39 -32.31 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -67.85 -25.57 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.316 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.2 mmt -85.64 -24.0 27.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.394 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 13.1 mm-40 -79.73 -49.13 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -175.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -68.07 -21.83 64.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.916 -175.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 7.6 pt-20 -77.64 -34.51 53.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -75.1 -50.03 17.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.897 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.519 ' HA ' HD12 ' A' ' 737' ' ' LEU . 98.6 t -62.19 -31.28 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.376 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 63.5 m -66.47 -32.66 74.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.848 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 20.9 mtm180 -74.11 -38.32 63.87 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 734' ' ' VAL . 73.2 mt -61.3 -43.63 98.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.258 174.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.04 -31.52 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.979 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.3 t80 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.071 0.462 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.79 -40.44 95.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.386 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -76.07 -40.93 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.36 -35.18 80.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.303 . . . . 0.0 110.474 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.94 -51.59 68.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.53 -28.72 67.24 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -57.74 -55.97 27.92 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -57.88 -41.25 94.07 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.976 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.855 0.36 . . . . 0.0 110.768 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.07 -42.34 97.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.907 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -64.29 -36.5 84.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.427 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 630' ' ' GLY . 82.5 t -62.77 -45.43 98.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.079 0.466 . . . . 0.0 110.709 177.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -77.87 -11.87 59.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.811 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.96 -7.5 51.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.122 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 67.46 27.26 8.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.767 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -111.8 68.97 0.68 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.452 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -71.25 -28.94 64.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.7 -169.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -61.36 -37.32 82.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 0.0 110.571 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 19.6 t70 -79.15 -32.86 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.0 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.794 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.1 mt -56.44 -43.27 79.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 174.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 20.2 m -62.93 -32.66 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.151 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 32.4 mmtp -85.88 -45.92 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.223 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.76 -36.63 84.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -66.22 -30.89 71.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 651' ' ' LYS . 63.0 mm-40 -74.07 -28.36 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.9 m -61.05 -48.45 81.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.057 0.456 . . . . 0.0 110.202 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 653' ' ' ASN . 90.6 mt -60.86 -32.82 72.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.308 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 6.5 mtpm? -62.88 -25.03 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.31 0.576 . . . . 0.0 110.441 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.4 mt -89.35 -52.61 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.895 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 650' ' ' LEU . 41.3 t30 -135.44 119.15 17.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.615 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.07 4.13 41.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.568 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.44 14.22 30.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.429 -177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . 0.434 ' HG3' HG12 ' A' ' 659' ' ' ILE . 8.9 tp10 -105.43 102.59 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.674 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 16.9 p -63.64 -27.91 69.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.877 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.07 71.65 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 120.772 0.32 . . . . 0.0 111.374 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.434 HG12 ' HG3' ' A' ' 656' ' ' GLU . 49.8 mm -69.2 -44.71 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.387 . . . . 0.0 110.09 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 69.1 m-85 -63.39 -45.6 90.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.424 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 2.0 p -61.99 -34.14 75.62 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 111.099 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -75.25 -40.36 58.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -62.49 -41.85 99.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -54.99 -46.67 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.81 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.04 -40.93 91.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.5 m -65.19 -48.9 71.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.642 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.42 -36.16 68.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.9 mt -60.52 -31.07 70.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 74.9 mmtt -84.59 -23.33 29.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.136 -177.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.61 6.68 47.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 63.0 m 64.89 24.66 12.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.707 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -96.54 62.86 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.27 -36.11 83.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.109 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.36 -38.5 87.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.397 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.69 -39.43 67.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.62 96.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.505 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 28.9 ttmt -53.95 -43.56 69.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.584 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -68.04 -45.42 73.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.236 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -60.27 -42.31 95.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.186 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.8 m -60.8 -36.76 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.848 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 30.0 t70 -70.97 -41.84 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.4 mm100 -57.25 -38.17 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.328 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.52 87.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.843 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 65.7 mt -71.48 -31.66 67.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.373 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.0 mt-30 -62.47 -35.11 78.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.0 110.387 176.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.4 mt -85.51 -39.5 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -123.43 104.5 9.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 111.331 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.51 93.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.314 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 121.9 23.74 2.43 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.959 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.83 100.46 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.627 HG13 HG13 ' A' ' 717' ' ' VAL . 98.8 t -54.16 -40.04 45.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.396 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -59.37 -35.83 74.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.871 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.8 67.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.15 -47.84 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.079 0.466 . . . . 0.0 110.347 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.574 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.9 t80 -60.58 -41.62 95.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.063 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -68.74 -35.99 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -67.19 -39.58 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 110.103 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 176.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.3 mt -65.96 -36.33 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 110.247 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.05 53.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.505 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 55.7 m-70 -60.44 -37.27 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.44 -44.93 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.72 -23.51 77.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.757 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -91.95 8.17 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.674 0.273 . . . . 0.0 110.789 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 61.64 29.25 18.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.101 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -100.95 63.18 1.01 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -72.0 -28.37 63.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.852 -171.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.413 HE21 HD21 ' A' ' 738' ' ' LEU . 6.9 tp-100 -65.99 -33.28 75.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 0.0 109.603 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -79.6 -42.28 25.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.504 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -61.61 -40.93 96.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.178 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.81 -31.24 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.35 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.77 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 0.0 110.182 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 717' ' ' VAL . 35.7 m-20 -77.77 -34.67 52.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.686 -176.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.602 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.6 mt -66.03 -47.68 73.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.335 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.637 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.7 m-80 -60.83 -36.76 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.481 174.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -60.68 -44.89 95.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.627 HG13 HG13 ' A' ' 691' ' ' VAL . 70.0 t -60.45 -36.75 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.915 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.602 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.5 mm -66.27 -30.89 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.519 . . . . 0.0 110.616 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 54.8 mt -75.41 -32.31 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 0.0 110.745 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.16 -49.47 8.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.343 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . 0.429 ' OD2' HG21 ' A' ' 691' ' ' VAL . 3.4 m-20 -137.5 86.71 18.71 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.693 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.44 5.82 3.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.741 2.294 . . . . 0.0 112.43 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.8 p -96.07 5.81 50.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.159 0.504 . . . . 0.0 110.829 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.518 HG22 ' H ' ' A' ' 727' ' ' ALA . 20.9 mt -93.46 100.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.95 -38.25 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -52.69 -46.2 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.518 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -74.09 -27.58 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 27.2 mtpp -78.14 -21.27 50.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.279 0.561 . . . . 0.0 110.194 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . 0.612 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.4 mmt -87.06 -35.58 18.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.362 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.89 -51.47 58.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.898 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.906 -174.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -77.29 -28.41 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 0.0 109.994 -179.571 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.454 ' HA ' ' NH2' ' A' ' 736' ' ' ARG . 36.1 tt0 -78.15 -47.11 18.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.85 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 737' ' ' LEU . 78.3 t -60.53 -32.67 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.374 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.8 m -62.59 -38.72 91.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.703 0.287 . . . . 0.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.454 ' NH2' ' HA ' ' A' ' 733' ' ' GLU . 44.4 mtm105 -75.66 -38.1 59.07 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 734' ' ' VAL . 84.0 mt -59.32 -42.49 91.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.475 174.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . 0.413 HD21 HE21 ' A' ' 708' ' ' GLN . 63.9 tp -66.15 -27.92 68.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.876 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.672 -178.871 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.491 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 88.9 t80 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.964 0.412 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 27.4 mtpp -61.38 -51.15 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.652 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.44 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.299 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 69.4 mt -64.34 -39.26 93.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.05 -50.96 62.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.377 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 72.3 mt-10 -59.01 -58.38 8.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.56 -27.4 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.31 . . . . 0.0 110.752 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -61.26 -46.76 93.8 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.287 173.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -63.6 -36.55 84.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.788 0.328 . . . . 0.0 110.456 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -47.87 83.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.41 -40.15 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.0 t -58.55 -48.9 84.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.341 . . . . 0.0 110.605 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 637' ' ' LYS . 32.4 t70 -78.59 -9.03 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . 0.463 ' HB2' ' NZ ' ' A' ' 637' ' ' LYS . 8.5 mtmp? 70.9 30.81 2.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.292 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -107.96 67.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.21 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 81.4 m-85 -70.25 -27.18 64.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.72 -173.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.762 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.96 -32.37 51.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.182 0.515 . . . . 0.0 110.22 -178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.95 82.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.509 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.5 mt -53.25 -45.75 68.91 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.648 175.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 10.4 m -57.56 -53.88 53.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.592 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.92 -48.6 72.9 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.863 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.3 m-85 -69.05 -33.99 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.667 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 45.5 m -67.01 -34.04 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 0.0 110.238 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.92 -31.46 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.491 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 71.9 m -60.42 -46.52 89.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.29 -35.58 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.069 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.41 -21.14 66.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.22 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 26.4 mt -99.6 -39.92 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 39.9 t30 -149.21 117.67 6.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -97.74 -0.41 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.493 ' C ' HD13 ' A' ' 686' ' ' LEU . 20.6 tptm -88.43 -11.4 46.12 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 121.182 0.515 . . . . 0.0 111.407 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . 0.414 ' CG ' HG12 ' A' ' 659' ' ' ILE . 5.5 tp10 -79.95 94.6 5.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.659 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 30.6 p -60.73 -26.62 67.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.691 0.281 . . . . 0.0 111.371 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.28 65.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.739 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.414 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.4 mm -79.8 -44.48 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.03 0.443 . . . . 0.0 109.832 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 683' ' ' ALA . 96.0 m-85 -62.83 -42.98 99.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.001 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 19.0 p -61.56 -38.54 87.85 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.282 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -76.39 -35.26 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -61.37 -45.33 94.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.52 -48.77 74.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.986 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 57.0 tp -56.75 -43.25 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 177.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 81.8 m -65.26 -46.18 81.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.747 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.28 -36.04 74.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.108 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.3 mt -60.16 -31.02 69.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.988 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.98 -30.03 35.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.278 -176.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.67 17.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.5 m 59.49 35.32 22.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.516 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -109.06 62.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.314 0.578 . . . . 0.0 109.506 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -64.65 -36.38 84.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.719 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.17 -37.4 82.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.365 0.603 . . . . 0.0 110.097 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.0 -42.46 60.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.286 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.87 94.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.467 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.9 ttmt -50.2 -51.34 44.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.676 -175.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -39.28 94.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.24 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 60.4 m -62.21 -42.3 99.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.1 t70 -64.56 -43.57 93.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.562 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 0.0 OUTLIER -58.38 -38.48 77.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.739 176.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 660' ' ' TYR . . . -64.09 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 176.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.49 -29.23 64.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.245 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 17.9 mm-40 -64.2 -37.62 88.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.887 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.0 mt -82.71 -40.99 19.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.705 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 104.31 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.473 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.3 89.19 5.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.14 21.35 1.08 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.994 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -79.46 103.39 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.67 HG13 HG13 ' A' ' 717' ' ' VAL . 84.5 t -55.75 -41.04 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.476 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 30.9 mmtp -65.42 -34.66 78.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.98 -46.45 81.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.22 0.534 . . . . 0.0 110.058 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 40.6 t80 -62.87 -40.96 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -176.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -66.96 -40.28 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.599 0.237 . . . . 0.0 110.741 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 39.4 ttp180 -67.76 -40.51 84.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.704 0.288 . . . . 0.0 110.415 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -57.59 -44.38 85.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.037 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 89.0 mt -63.99 -39.15 93.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.32 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.789 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.467 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 68.9 m-70 -58.31 -41.56 84.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -56.06 -43.88 78.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.446 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.35 -29.71 73.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.334 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.57 6.58 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.612 0.244 . . . . 0.0 110.908 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 66.92 20.59 10.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.006 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -93.57 66.34 3.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -72.5 -31.67 65.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.997 -171.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -67.16 -35.32 79.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.191 0.519 . . . . 0.0 109.814 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -75.57 -38.65 59.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.386 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -65.08 -42.1 94.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.161 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.321 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.38 -40.54 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.865 0.364 . . . . 0.0 110.578 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -83.68 -32.94 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.372 . . . . 0.0 111.046 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.63 -48.35 67.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.634 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.462 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.0 m-80 -60.1 -29.48 68.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.546 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -68.41 -47.54 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.67 HG13 HG13 ' A' ' 691' ' ' VAL . 81.8 t -58.75 -35.87 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.673 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.5 mm -60.65 -28.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.918 178.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 56.4 mt -86.57 -36.55 18.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.977 0.418 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.9 mt -74.33 -40.92 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.97 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.77 93.98 3.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.052 0.453 . . . . 0.0 110.301 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.13 8.12 2.99 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 112.586 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 1.2 m -90.12 -6.95 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.264 0.554 . . . . 0.0 109.662 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 727' ' ' ALA . 14.2 mt -85.6 98.37 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.308 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.35 -33.79 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.198 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 16.7 mm-40 -55.29 -41.27 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.664 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 731' ' ' LEU . 51.9 mtpt -74.75 -28.31 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.911 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.02 -22.64 36.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.617 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 60.0 mm-40 -79.31 -55.98 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.42 -26.01 67.78 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.163 -173.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.54 ' N ' HD13 ' A' ' 731' ' ' LEU . 7.8 pt-20 -70.26 -37.09 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.201 0.524 . . . . 0.0 109.781 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 5.3 tp10 -80.38 -44.37 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 737' ' ' LEU . 93.0 t -61.23 -35.96 69.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.199 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 45.8 m -65.76 -32.37 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 43.6 mtm-85 -79.83 -33.0 40.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.331 0.586 . . . . 0.0 109.489 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.4 mt -66.08 -41.42 90.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.234 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.53 -31.26 72.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.716 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.126 0.489 . . . . 0.0 111.063 179.711 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.596 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 77.5 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.16 0.505 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -66.72 -38.99 87.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.9 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -76.08 -40.69 52.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.25 -36.71 82.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.309 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.35 -51.76 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.724 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 625' ' ' ALA . 12.3 pt-20 -68.87 -38.5 79.76 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.263 -175.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.87 -35.48 74.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.321 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.06 -39.59 97.32 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.11 -36.28 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.9 mm-40 -63.14 -35.8 81.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.79 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 57.9 m -63.61 -48.25 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.65 -42.0 94.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 120.977 0.417 . . . . 0.0 110.603 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.69 -37.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.791 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.98 -6.13 56.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm 68.68 32.45 4.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.651 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.41 81.55 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.994 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 53.0 m-85 -80.91 -31.55 35.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.466 -168.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -64.41 -29.86 70.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.36 -38.04 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.191 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -55.76 -36.75 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.098 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.5 mt -52.01 -51.68 55.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.866 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 36.0 t -63.94 -40.76 97.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -65.33 -43.78 89.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -71.53 -28.4 63.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.639 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.2 t -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.525 . . . . 0.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.3 mm-40 -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.335 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.1 m -67.78 -46.13 72.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.408 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.24 -32.07 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.534 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -62.16 -24.43 67.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.842 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 25.8 mt -97.03 -47.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -142.95 123.07 13.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.538 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.78 1.63 27.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -106.21 24.36 12.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.279 0.561 . . . . 0.0 110.97 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . 0.471 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.9 tp10 -105.08 102.66 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 27.3 p -63.17 -24.79 68.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.42 -34.32 76.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.118 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -69.63 -46.89 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.216 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.671 ' CE1' ' HG2' ' A' ' 682' ' ' GLN . 86.8 m-85 -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.642 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.7 p -59.78 -43.77 94.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -74.48 -33.62 62.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.9 ttp180 -65.92 -43.7 87.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.9 -40.47 93.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.82 -39.78 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.544 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 62.7 m -68.62 -45.78 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.663 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.93 -38.05 72.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.551 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.3 mt -56.28 -40.72 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -71.61 -35.01 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.49 11.4 8.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.753 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 82.6 m 61.25 31.32 19.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.639 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -106.49 64.16 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.502 0.667 . . . . 0.0 109.384 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -66.61 -32.77 74.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.244 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.03 -40.38 89.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.77 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.94 -36.98 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.395 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.45 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -55.75 -48.97 74.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -67.5 -33.79 75.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.597 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.766 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 66.0 m -60.7 -39.49 88.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.1 t70 -63.91 -43.19 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.72 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.671 ' HG2' ' CE1' ' A' ' 660' ' ' TYR . 5.9 tp-100 -61.99 -47.82 83.09 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 123.38 0.672 . . . . 0.0 110.58 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.78 -38.91 64.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.074 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.89 -28.32 60.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.917 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -66.49 -31.47 72.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 109.93 174.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 20.9 mt -87.44 -43.69 11.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.258 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -119.43 103.85 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.241 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.88 87.33 4.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.903 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 129.69 26.17 0.88 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.27 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -83.1 105.91 14.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.637 HG13 HG13 ' A' ' 717' ' ' VAL . 88.6 t -56.56 -42.81 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.866 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.52 -35.16 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -69.09 -39.97 78.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.844 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.213 0.53 . . . . 0.0 110.177 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.411 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.8 t80 -59.21 -43.86 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.434 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.77 -25.71 44.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.263 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -68.07 -39.84 82.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.757 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 86.3 mt -63.36 -38.89 92.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.161 0.505 . . . . 0.0 110.255 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.77 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -61.45 -39.25 90.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -56.07 -45.66 79.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.127 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.27 -21.39 75.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.79 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.94 9.61 41.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 707' ' ' TYR . 29.6 mtpp 62.9 24.0 14.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.684 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.95 69.29 3.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 705' ' ' LYS . 37.2 m-85 -76.1 -31.8 58.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.635 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -64.33 -31.28 72.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.177 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -83.37 -42.97 16.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.734 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -60.43 -41.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.345 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.17 -31.6 70.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -44.07 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.899 0.38 . . . . 0.0 110.226 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 717' ' ' VAL . 46.0 m-20 -74.31 -35.97 63.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.708 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.7 mt -65.7 -46.84 77.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.534 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.558 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 21.2 m-80 -61.21 -35.93 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.637 HG13 HG13 ' A' ' 691' ' ' VAL . 84.3 t -60.33 -36.4 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.643 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.6 mm -64.24 -29.15 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.521 . . . . 0.0 110.574 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.6 mt -79.77 -38.41 33.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.73 -45.96 27.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.137 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.83 89.93 7.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.77 8.43 3.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.91 2.407 . . . . 0.0 113.155 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -100.07 0.23 40.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.21 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.492 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.6 mt -83.88 103.01 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.179 0.514 . . . . 0.0 110.446 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.1 -33.8 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.352 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 31.9 mt-10 -55.08 -49.38 71.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.754 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.492 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.91 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -69.09 -31.75 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.548 . . . . 0.0 110.281 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.2 mmt -85.83 -27.86 24.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.81 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -75.43 -48.36 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.631 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.5 OUTLIER -66.06 -30.0 70.44 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.007 -174.287 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.1 pt-20 -68.91 -39.35 79.73 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 7.8 tp10 -69.94 -46.19 65.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.47 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.52 ' HA ' HD12 ' A' ' 737' ' ' LEU . 80.5 t -62.61 -24.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.746 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.3 m -65.61 -36.02 82.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.601 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -40.2 63.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 734' ' ' VAL . 82.6 mt -59.35 -42.59 91.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.772 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.3 tp -66.21 -40.7 90.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.963 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 -179.11 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 83.4 t80 . . . . . 0 C--O 1.228 -0.063 0 CA-C-O 120.927 0.394 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.03 -37.69 88.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -69.65 -53.13 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.796 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.26 -38.63 84.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -64.56 -50.43 67.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.035 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.34 -34.08 74.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.78 -39.66 87.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.811 0.338 . . . . 0.0 110.273 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -60.79 -42.26 99.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.815 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.12 -43.77 87.4 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.02 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.67 -36.31 83.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.311 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 62.7 m -62.79 -44.77 95.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 0.0 109.972 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 639' ' ' TYR . 88.4 t -60.43 -46.81 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.435 0.636 . . . . 0.0 110.205 175.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.68 -22.56 66.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.541 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -92.51 2.39 56.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.172 0.51 . . . . 0.0 110.326 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . 0.448 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 35.7 mtmm 65.85 25.77 11.21 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.955 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -109.5 69.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 83.4 m-85 -73.69 -31.91 63.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.083 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.78 -30.61 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.05 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -86.59 -35.12 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.431 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.689 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -54.73 -44.05 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.828 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 35.5 t -69.44 -42.45 74.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -61.62 -47.0 87.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.43 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.73 -29.69 67.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 44.3 t -61.26 -39.82 91.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.31 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.9 -31.7 70.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.548 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.0 m -63.52 -45.39 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.251 175.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.81 -37.46 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -62.94 -28.28 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 110.506 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 33.7 mt -86.99 -44.48 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.391 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -147.48 122.3 9.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.885 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -104.72 11.54 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.707 0.289 . . . . 0.0 110.556 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.473 ' HA ' HD22 ' A' ' 686' ' ' LEU . 35.0 mmtp -104.96 13.01 31.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.467 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.24 105.48 15.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.998 0.427 . . . . 0.0 110.39 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.4 p -66.85 -22.98 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.91 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.04 70.44 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.996 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.25 -52.76 24.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.947 0.403 . . . . 0.0 110.023 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 80.6 m-85 -57.99 -47.56 82.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.38 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 15.5 p -59.9 -38.69 83.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.427 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.24 -32.89 56.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -62.93 -42.59 99.85 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.52 -43.48 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.824 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.47 -38.94 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.237 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.93 -47.15 69.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 16.2 m-85 -56.96 -38.68 73.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.6 mt -57.5 -33.39 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.37 -34.71 54.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.24 12.73 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.852 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . 0.438 ' HG ' ' HE1' ' A' ' 673' ' ' PHE . 20.5 t 64.63 32.18 11.59 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.355 0.598 . . . . 0.0 111.123 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 79.9 mt-30 -107.7 67.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.47 0.653 . . . . 0.0 109.416 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . 0.438 ' HE1' ' HG ' ' A' ' 671' ' ' CYS . 44.5 m-85 -70.56 -37.31 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.031 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.24 -41.22 98.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 109.944 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.36 -47.24 74.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.195 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -56.33 -42.56 77.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.711 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.534 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -56.36 -46.02 80.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.753 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.67 -37.64 82.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.165 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -64.94 -43.57 92.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.563 177.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.39 -40.45 94.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.67 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.0 t70 -62.45 -49.73 74.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 178.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.5 mm100 -58.24 -34.06 70.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.44 91.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 69.3 mt -72.63 -30.58 64.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.72 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 11.9 mm-40 -63.75 -31.03 72.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.856 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.6 mt -84.57 -49.95 8.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.995 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -124.24 103.35 8.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.231 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.03 87.56 6.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.921 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.0 14.63 0.48 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.042 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -79.81 108.91 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.645 HG13 HG13 ' A' ' 717' ' ' VAL . 98.5 t -57.27 -41.98 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.731 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.51 -33.52 73.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.666 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.69 70.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.44 -51.44 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.48 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 71.5 t80 -58.91 -45.62 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.515 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -77.43 -24.12 50.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.301 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -72.27 -38.49 68.83 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -60.42 -41.4 93.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.472 174.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -64.46 -35.64 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -66.53 -51.78 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.534 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.1 m-70 -57.99 -41.64 83.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.706 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.63 -40.25 78.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.888 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.45 -27.11 73.12 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.233 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.81 4.1 50.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.416 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 66.62 28.47 9.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.023 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.86 73.49 1.99 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -78.78 -33.94 45.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.329 -169.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.5 -35.37 80.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -73.07 -45.83 55.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.929 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 26.5 t -60.73 -40.92 94.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.422 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.15 -30.68 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.689 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.2 -43.25 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.416 ' HB2' ' HB2' ' A' ' 698' ' ' ALA . 70.0 m-20 -75.06 -36.42 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.7 mt -64.63 -47.95 76.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.382 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.617 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 22.1 m-80 -61.32 -32.25 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.099 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.33 -44.23 83.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.645 HG13 HG13 ' A' ' 691' ' ' VAL . 79.0 t -57.45 -39.65 69.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.439 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.8 mm -62.31 -27.71 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.985 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 60.2 mt -81.07 -43.11 19.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.69 -42.93 39.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.32 89.18 5.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.418 . . . . 0.0 110.038 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.34 3.35 6.36 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.528 2.152 . . . . 0.0 112.596 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 15.2 t -89.12 -9.96 49.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.249 0.547 . . . . 0.0 109.694 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.447 HG22 ' H ' ' A' ' 727' ' ' ALA . 14.0 mt -76.44 103.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.121 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.5 mm -65.14 -32.06 56.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 14.1 mm-40 -56.77 -44.75 82.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.205 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.447 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -73.36 -27.8 61.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.926 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -69.85 -26.34 64.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.455 0.645 . . . . 0.0 109.997 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . 0.428 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.3 mmt -87.09 -33.63 19.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.11 176.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 23.6 mm-40 -69.41 -49.5 54.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.03 -30.1 71.2 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.877 -175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 0.0 OUTLIER -74.79 -36.97 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.567 ' HG3' ' NH2' ' A' ' 736' ' ' ARG . 38.7 tt0 -71.98 -46.36 57.6 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' ' 737' ' ' LEU . 91.8 t -63.57 -31.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.847 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.3 m -65.87 -30.05 70.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.63 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 14.1 mtm180 -74.84 -46.02 39.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 734' ' ' VAL . 72.7 mt -54.98 -47.57 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.592 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.64 -39.84 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.227 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.534 -178.85 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 653' ' ' ASN . 72.8 t80 . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.094 0.473 . . . . 0.0 110.127 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 628' ' ' GLU . 98.7 mttt -63.35 -53.05 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.171 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.98 76.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 111.259 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.18 -45.19 85.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.27 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -66.97 -41.46 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.022 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 624' ' ' LYS . 10.0 mm-40 -62.38 -50.03 73.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.333 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.99 -27.17 66.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.933 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -59.19 -47.64 89.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.557 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -62.14 -33.64 74.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.33 -45.03 95.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.634 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.7 m -60.76 -40.58 93.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.253 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 630' ' ' GLY . 90.2 t -63.19 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.94 -33.23 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.959 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.94 -6.36 50.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 0.0 110.302 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 65.47 29.9 11.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.692 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -101.59 64.15 0.98 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.495 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 61.7 m-85 -68.32 -32.92 73.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.105 -170.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -61.37 -28.73 69.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.14 -37.83 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.35 -33.96 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.427 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.6 mt -52.29 -51.31 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.913 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 93.8 p -65.18 -39.11 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.678 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -61.86 -44.65 96.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 662' ' ' ASN . 33.3 m-85 -74.7 -28.08 60.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.426 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 43.5 m -67.44 -31.63 71.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.146 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 644' ' ' SER . 32.4 mm-40 -66.34 -32.96 74.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.009 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 81.6 m -67.35 -39.58 85.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.557 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -25.53 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.47 -23.56 63.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.9 mt -97.23 -45.34 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.81 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.472 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 33.4 t30 -149.23 128.33 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -175.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -113.29 10.84 18.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.471 ' C ' HD13 ' A' ' 686' ' ' LEU . 34.9 mmtp -101.38 9.84 41.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.195 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -105.06 107.38 18.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.38 -23.71 65.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.791 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.48 77.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.022 0.439 . . . . 0.0 110.945 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.7 -47.09 90.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.456 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -65.81 -42.26 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.963 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.7 p -61.59 -40.86 96.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.317 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 646' ' ' TYR . 12.0 m-80 -65.12 -43.84 90.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.001 177.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.43 -50.34 71.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.91 -43.6 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.461 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . 0.479 ' HB2' ' NH1' ' A' ' 696' ' ' ARG . 3.3 tm? -57.99 -43.87 86.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.939 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.0 m -65.74 -43.81 87.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.79 -37.36 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.602 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -59.77 -32.0 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 111.051 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -76.69 -29.66 56.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.52 16.33 13.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.621 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 44.4 t 63.81 21.68 12.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.364 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.63 68.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 109.952 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -67.39 -37.12 82.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.07 -35.83 78.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.246 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.43 ' HA ' HE21 ' A' ' 678' ' ' GLN . 12.4 mm-40 -75.71 -41.98 52.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.256 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.337 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.0 ttmt -53.99 -44.02 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.891 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 675' ' ' GLU . 44.5 mt-30 -64.18 -50.83 66.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.414 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -33.52 76.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.467 -177.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.689 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 20.3 t70 -66.56 -41.15 89.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.556 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.7 mm100 -60.11 -36.57 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.634 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.9 90.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.59 -31.93 70.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.209 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.0 mt-30 -61.29 -28.17 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 18.2 mt -92.37 -42.78 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.162 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.64 103.31 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.535 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.78 90.91 5.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.589 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.15 19.14 0.55 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.062 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.49 106.17 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.811 HG13 HG13 ' A' ' 717' ' ' VAL . 92.3 t -56.36 -40.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.692 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -65.51 -31.62 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.55 59.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.52 -50.43 63.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.11 0.481 . . . . 0.0 110.683 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.616 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 75.7 t80 -58.59 -43.27 89.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.384 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.479 ' NH1' ' HB2' ' A' ' 665' ' ' LEU . 97.6 mtt180 -78.26 -26.45 47.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.273 -176.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.46 -39.55 77.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -61.1 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.5 mt -61.05 -42.11 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.084 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.53 64.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.812 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 58.8 m-70 -57.48 -44.93 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.89 -45.79 78.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -65.92 -24.02 71.34 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.663 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.8 7.67 44.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.29 26.45 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.748 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 88.1 m-20 -99.58 76.47 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -80.52 -36.05 33.71 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.205 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.613 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.1 OUTLIER -65.39 -35.93 82.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -70.48 -44.84 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.86 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.28 -40.31 93.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.082 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.86 -33.71 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.43 -37.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.548 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 717' ' ' VAL . 65.4 m-20 -83.45 -33.99 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.2 -47.69 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.548 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.556 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 37.8 m-80 -61.51 -32.68 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.593 ' O ' HD22 ' A' ' 720' ' ' LEU . 0.1 OUTLIER -65.02 -46.9 79.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.741 176.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.811 HG13 HG13 ' A' ' 691' ' ' VAL . 70.0 t -54.96 -39.72 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.959 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.9 mm -63.59 -23.77 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.479 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.3 mt -76.2 -53.97 7.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . 0.593 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -60.25 -58.22 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.455 0.645 . . . . 0.0 111.126 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -127.57 90.87 47.2 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.409 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.41 2.93 5.74 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.018 2.478 . . . . 0.0 113.288 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 21.0 m -103.45 2.08 33.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.765 0.317 . . . . 0.0 111.231 -174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.518 HG22 ' H ' ' A' ' 727' ' ' ALA . 22.9 mt -81.62 106.5 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.155 0.502 . . . . 0.0 110.665 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.48 -34.78 71.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 20.4 mm-40 -55.08 -48.67 73.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.521 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.518 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.73 -29.86 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.983 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -71.92 -28.22 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 0.0 110.107 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.7 mmt -85.03 -21.15 29.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.537 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 57.7 mm-40 -80.53 -50.16 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.442 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.7 OUTLIER -65.43 -27.08 68.27 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.819 -175.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.3 pt-20 -73.24 -39.22 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.49 ' CD ' HH21 ' A' ' 736' ' ' ARG . 7.4 tp10 -69.7 -48.48 59.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.394 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.505 ' HA ' HD12 ' A' ' 737' ' ' LEU . 95.2 t -61.47 -32.22 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.167 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.5 m -64.02 -35.85 82.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.49 HH21 ' CD ' ' A' ' 733' ' ' GLU . 32.8 mtm180 -79.96 -36.42 36.19 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 734' ' ' VAL . 89.4 mt -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.213 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.81 -29.99 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.524 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.716 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 88.7 t80 . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.35 -50.86 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.766 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -64.12 -42.31 96.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.012 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.33 -40.31 95.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.109 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.75 -45.41 94.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 48.0 mt-10 -58.6 -47.22 85.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.516 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 62.6 mm-40 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -56.28 -48.74 72.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -61.76 -41.96 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.583 0.23 . . . . 0.0 111.233 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.2 mm-40 -62.7 -30.84 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.556 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 69.3 m -75.66 -48.33 22.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.114 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.4 t -54.82 -44.74 73.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -74.56 -12.44 60.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.671 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -105.67 10.21 32.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.228 0.537 . . . . 0.0 110.034 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 639' ' ' TYR . 51.0 mtpt 63.24 23.95 14.09 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.03 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 60.1 t30 -100.53 56.84 0.91 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.929 0.871 . . . . 0.0 108.917 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.611 ' CE1' ' HA ' ' A' ' 637' ' ' LYS . 83.8 m-85 -67.63 -30.52 70.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.861 -174.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -60.95 -39.49 89.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.81 -31.64 28.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.034 0.445 . . . . 0.0 110.308 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.77 68.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.742 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.7 mt -54.3 -46.3 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.853 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 27.4 m -69.67 -36.45 76.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.977 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.08 -44.01 77.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' A' ' 650' ' ' LEU . 29.6 m-85 -71.6 -25.06 62.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 23.1 t -65.35 -33.66 76.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.53 -32.56 66.22 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 646' ' ' TYR . 67.1 m -59.77 -40.58 88.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.006 174.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 646' ' ' TYR . 85.5 mt -72.53 -10.42 59.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.673 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 52.0 mt -99.63 -51.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.819 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 46.2 t30 -135.59 126.58 27.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 111.047 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -118.82 12.5 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 686' ' ' LEU . 26.9 tptp -94.29 -9.67 35.28 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 121.085 0.469 . . . . 0.0 110.809 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -92.39 106.45 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.101 0.476 . . . . 0.0 111.087 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.77 -20.94 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.655 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.3 -30.29 71.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.721 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.07 -50.46 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 65.0 m-85 -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.944 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 7.0 p -65.56 -40.7 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.304 . . . . 0.0 111.005 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . 0.441 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 8.5 m-80 -64.98 -39.85 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.446 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -57.78 -51.3 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.546 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.03 -43.6 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.132 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . 0.422 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 54.6 tp -55.92 -45.57 78.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.543 176.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.25 -47.18 83.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.798 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.86 -32.87 68.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.925 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -63.93 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.132 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.5 mptp? -76.24 -28.7 57.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.18 3.81 52.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.503 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.0 m 62.05 24.94 14.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.469 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -94.4 68.16 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -64.11 -35.6 81.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.205 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.71 -38.6 88.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.26 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -72.35 -46.45 55.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.033 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -57.56 -40.75 79.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.528 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.472 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -53.21 -44.73 68.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.038 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.1 -44.46 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.216 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 2.1 m-20 -61.42 -34.52 75.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.57 -41.54 96.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.94 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.89 -40.02 96.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.265 0.555 . . . . 0.0 110.041 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.585 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.8 mm100 -64.05 -33.42 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.72 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.67 70.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.417 . . . . 0.0 110.779 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.5 mt -78.07 -29.65 49.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.898 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 682' ' ' GLN . 11.0 pt20 -66.53 -36.88 83.79 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.21 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.8 mt -76.15 -42.03 48.03 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.948 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.73 104.08 7.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -78.49 80.31 4.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.407 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 145.18 26.37 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.214 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.31 104.79 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.669 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -54.72 -42.9 63.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.665 -176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.643 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 98.9 mttt -64.91 -35.51 81.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.42 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -64.67 -47.03 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 109.921 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.568 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 59.4 t80 -60.03 -43.41 95.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 29.2 mmt180 -64.27 -42.66 96.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 0.0 110.586 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 701' ' ' HIS . 43.8 ttp180 -69.33 -37.15 77.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.956 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.32 92.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 82.9 mt -67.48 -40.28 85.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.291 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.38 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.814 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.472 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 54.2 m-70 -61.06 -40.17 92.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.8 -42.09 78.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.89 -20.73 78.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.649 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 67.6 mt -96.42 5.83 50.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 62.36 30.87 17.47 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.088 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.0 m-20 -101.8 66.8 1.07 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 174.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -74.44 -30.95 62.11 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.113 -167.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 712' ' ' ILE . 8.2 tp-100 -63.18 -42.74 99.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.38 -43.71 93.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.668 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.8 t -61.31 -43.78 98.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.14 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 55.5 mt -58.56 -34.8 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.3 mt -63.34 -36.92 78.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.442 . . . . 0.0 110.476 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 717' ' ' VAL . 60.9 m-20 -80.46 -36.39 33.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.3 mt -66.61 -47.84 71.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.598 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.0 m-80 -61.8 -32.21 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.025 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -66.81 -41.71 87.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.585 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.669 HG13 HG13 ' A' ' 691' ' ' VAL . 72.3 t -60.03 -37.48 72.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.9 mm -66.11 -27.67 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.872 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.0 mt -73.63 -40.05 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.223 0.535 . . . . 0.0 110.321 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.5 mt -79.62 -47.49 15.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.655 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -143.24 93.44 6.48 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 0.0 110.473 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.55 9.97 2.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.066 2.51 . . . . 0.0 112.592 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.0 m -93.49 -15.24 25.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 727' ' ' ALA . 15.8 mt -73.9 104.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.76 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.55 -34.02 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.423 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 37.0 mt-10 -54.87 -46.16 74.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.01 -29.42 64.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.005 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.395 0.617 . . . . 0.0 109.927 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -84.29 -22.63 30.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.802 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -82.38 -48.72 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -24.73 66.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.776 -175.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.0 pt-20 -74.43 -39.2 62.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.058 0.456 . . . . 0.0 109.825 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 6.4 tp10 -75.91 -44.47 40.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.56 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.0 t -61.57 -32.51 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.241 -178.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.9 m -65.1 -35.06 79.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.4 mtm-85 -77.98 -38.82 44.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.369 0.604 . . . . 0.0 109.517 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 734' ' ' VAL . 70.5 mt -61.5 -39.58 91.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.784 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.91 -35.39 80.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.706 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -179.585 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.4 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -62.6 -49.89 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.732 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.1 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.026 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.67 -37.83 82.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -64.07 -51.44 64.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.0 110.36 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.14 -52.09 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.182 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.35 -34.91 79.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.08 96.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.89 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -63.67 -34.06 77.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.81 -38.48 89.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.318 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.12 -39.58 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.43 -49.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.83 -33.68 76.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -77.33 0.02 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.709 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 65.81 20.78 11.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.849 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.56 61.5 0.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.457 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 78.9 m-85 -64.55 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.066 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -62.91 -28.42 70.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.3 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -85.87 -36.67 19.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 109.896 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.07 75.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.685 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.3 mt -54.42 -47.96 72.19 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.63 176.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.6 m -66.45 -40.06 89.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.057 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.16 -45.5 80.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -69.46 -26.73 64.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 t -64.48 -37.76 88.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.986 0.422 . . . . 0.0 109.919 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 651' ' ' LYS . 34.5 mm-40 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.037 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.42 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 65.4 m -57.7 -47.06 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.575 177.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -57.69 -40.6 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.426 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' A' ' 648' ' ' GLU . 52.4 mtmt -64.22 -22.44 66.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.272 0.558 . . . . 0.0 110.73 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.9 mt -90.28 -42.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.208 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -155.54 119.74 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.892 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -101.45 8.66 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.828 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -98.61 10.51 40.88 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.712 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.23 108.17 19.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.5 p -64.51 -23.42 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.705 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.02 71.89 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.042 0.448 . . . . 0.0 111.181 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 46.7 mm -72.2 -47.22 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -64.31 -46.63 82.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.701 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.2 p -61.1 -43.11 99.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.67 0.271 . . . . 0.0 111.543 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -77.79 -30.07 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.846 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.7 ttp180 -69.45 -40.97 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.23 -39.6 90.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.538 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.64 -36.66 76.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.214 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 74.5 m -71.37 -43.65 66.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.521 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -57.12 -35.52 69.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.606 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.7 mt -58.08 -31.61 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.177 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -80.83 -35.21 33.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.16 8.51 15.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 67.15 19.96 10.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.861 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -93.22 65.32 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.274 0.559 . . . . 0.0 109.505 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . 0.452 ' HB2' HD21 ' A' ' 704' ' ' LEU . 44.5 m-85 -66.68 -36.42 82.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.635 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.25 -39.92 88.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.57 -44.04 68.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.31 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.095 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.8 ttmt -56.1 -48.07 76.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.64 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.259 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.74 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.5 m -63.42 -37.01 85.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 32.7 t70 -64.88 -41.6 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.51 -43.29 97.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.87 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 53.7 mt -72.63 -27.19 61.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 25.6 mt-30 -70.05 -34.53 73.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.457 . . . . 0.0 109.955 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.58 -40.73 25.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 103.88 8.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.395 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.97 88.75 5.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.341 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.17 21.86 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.155 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -80.17 105.71 11.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.667 HG13 HG13 ' A' ' 717' ' ' VAL . 96.4 t -57.34 -42.46 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.414 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.9 -33.66 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.81 -40.47 72.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -66.82 -49.07 66.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.069 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.639 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.1 t80 -58.94 -47.65 84.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.381 -176.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.57 -25.09 59.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.318 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.48 -40.21 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -58.37 -41.37 84.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.647 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 64.1 mt -61.86 -39.46 91.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.018 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 673' ' ' PHE . . . -64.14 -52.01 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.941 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.45 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 74.3 m-70 -57.17 -39.22 74.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.12 -38.61 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.668 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -79.23 -14.45 81.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.46 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 673' ' ' PHE . 53.2 mt -100.69 10.03 41.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.744 0.307 . . . . 0.0 110.569 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 63.07 26.14 15.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.218 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.2 m-20 -101.77 71.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.998 -170.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -67.83 -38.2 82.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 706' ' ' ASN . 45.3 mmtm -64.11 -44.81 91.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.73 176.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.7 t -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.243 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 37.6 mt -58.85 -34.68 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.458 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 708' ' ' GLN . 69.6 mt -61.74 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.0 m-20 -77.31 -34.49 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.123 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.7 mt -66.8 -47.85 70.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.542 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.698 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 29.3 m-80 -62.15 -34.25 76.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -60.19 -44.47 95.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.096 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.667 HG13 HG13 ' A' ' 691' ' ' VAL . 70.4 t -61.82 -39.74 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.726 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -65.47 -28.27 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.1 0.476 . . . . 0.0 110.518 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 69.2 mt -74.19 -43.17 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.095 0.474 . . . . 0.0 110.499 176.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.29 -43.76 55.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.896 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.35 93.74 4.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.534 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.64 9.02 3.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.893 2.395 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 19.2 t -97.7 -3.38 39.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 109.804 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 727' ' ' ALA . 26.7 mt -82.56 106.16 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.33 -31.02 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.338 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.49 -46.36 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.419 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.589 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.51 -27.37 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -71.63 -28.73 63.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.1 mmt -86.19 -24.39 26.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.703 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -76.46 -50.97 12.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.507 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 714' ' ' LEU . 1.0 OUTLIER -68.33 -27.35 66.2 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.207 -173.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 8.5 pt-20 -70.21 -36.77 74.8 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 44.0 tt0 -71.42 -47.35 56.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.31 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 737' ' ' LEU . 90.5 t -61.01 -33.98 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.779 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 95.8 m -65.31 -32.8 74.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 30.2 mtm180 -75.05 -34.88 61.89 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 734' ' ' VAL . 54.1 mt -69.42 -42.57 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.474 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.4 tp -63.77 -30.87 71.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.904 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.242 179.675 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 88.2 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 110.083 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -66.89 -40.03 87.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.906 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . 0.437 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.38 -32.99 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.48 -40.76 70.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -64.39 -46.18 84.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.702 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.7 pt-20 -62.96 -43.73 97.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.032 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -69.92 -30.55 67.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.855 0.359 . . . . 0.0 110.352 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.65 99.71 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.63 -42.28 96.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.025 0.441 . . . . 0.0 109.986 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.666 ' HA ' HE21 ' A' ' 632' ' ' GLN . 0.0 OUTLIER -63.55 -40.01 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.565 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 76.0 m -63.49 -45.06 92.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.104 0.253 . . . . 0.0 110.654 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.08 -41.17 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.95 0.405 . . . . 0.0 110.427 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.34 -39.82 94.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.93 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.86 -8.78 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 0.0 110.565 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . 0.408 ' HB2' ' NZ ' ' A' ' 637' ' ' LYS . 8.7 mtmp? 70.26 20.31 6.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.846 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.58 77.12 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.55 0.691 . . . . 0.0 109.203 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.549 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 62.0 m-85 -70.66 -25.12 62.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.913 -173.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . 0.413 ' HA ' HD11 ' A' ' 670' ' ' LEU . 44.3 mtmt -56.65 -53.04 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.931 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -82.65 -19.64 37.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.04 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.5 81.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 86.9 mt -57.62 -41.96 82.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.592 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 7.0 m -64.67 -49.41 71.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.26 -47.71 80.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.2 m-85 -72.89 -24.95 60.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.164 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 47.4 t -68.34 -44.14 75.97 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.13 -25.18 66.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 83.1 m -63.83 -43.54 95.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.246 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.52 -28.99 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.087 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -61.98 -27.24 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.6 mt -98.33 -51.55 10.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.763 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -138.72 115.28 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.264 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.01 12.66 35.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.057 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.415 ' HA ' HD22 ' A' ' 686' ' ' LEU . 31.2 mmmt -103.17 11.52 36.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.26 95.96 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.635 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.21 -26.7 68.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.343 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.49 75.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.001 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 48.5 mm -61.96 -46.81 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.162 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -63.51 -43.34 97.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.273 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.4 p -65.94 -28.25 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.07 -39.9 32.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.545 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -63.26 -44.31 95.51 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.23 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.662 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.33 -42.5 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.3 -45.88 92.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.987 0.422 . . . . 0.0 109.88 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.61 -38.03 89.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.768 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 19.1 m-85 -64.95 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 177.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 92.2 mt -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.573 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -73.24 -33.18 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.851 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 640' ' ' LYS . 81.8 mt -100.1 28.14 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 28.3 p 47.37 34.85 3.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.082 0.953 . . . . 0.0 112.976 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 49.2 mt-30 -107.53 65.42 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.311 0.577 . . . . 0.0 109.729 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.48 -37.2 79.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.607 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.33 -37.63 83.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.968 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.23 -42.25 72.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.971 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.995 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -54.34 -44.25 71.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.09 -44.99 96.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.35 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -38.85 82.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.28 -40.42 94.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.373 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.8 t70 -66.38 -40.93 90.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.301 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.567 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 17.1 mm100 -62.14 -37.62 85.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.76 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.702 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.86 -31.05 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.437 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.8 mt-30 -63.76 -29.81 70.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.41 . . . . 0.0 110.296 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 21.7 mt -88.88 -47.07 8.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -117.86 103.8 10.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.59 92.73 5.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.011 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 123.57 19.37 2.82 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.175 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -76.93 106.35 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -56.49 -37.63 52.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.297 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 62.8 mttm -65.67 -37.21 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.596 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.72 84.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -65.89 -47.55 74.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.233 0.539 . . . . 0.0 110.026 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.581 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.2 t80 -59.07 -42.54 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.981 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.2 mmt180 -64.98 -44.34 89.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.02 -36.95 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.929 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.28 95.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.658 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.1 mt -66.04 -37.49 85.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.103 0.478 . . . . 0.0 110.256 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.01 -52.28 63.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.677 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.21 -35.71 77.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.813 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.89 -43.32 86.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.344 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -74.94 -21.6 78.19 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.246 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.68 8.42 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.725 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 62.68 22.27 13.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.941 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.22 67.28 1.57 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -74.25 -29.27 61.6 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.154 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.91 -32.45 73.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 109.511 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -78.26 -40.25 37.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -64.05 -41.34 97.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.219 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.13 -32.94 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.73 -40.03 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.918 0.39 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.5 m-20 -83.4 -34.7 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.9 mt -65.69 -48.07 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.369 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.66 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.3 m-80 -59.73 -39.1 83.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 12.1 tptm -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.395 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 691' ' ' VAL . 70.7 t -61.46 -39.89 84.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 175.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.3 mm -64.35 -36.34 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.34 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 68.9 mt -69.31 -38.61 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 110.693 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 83.6 mt -78.91 -44.29 22.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.067 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -144.41 89.29 6.95 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 109.982 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.74 7.14 4.04 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.905 2.403 . . . . 0.0 113.044 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 25.6 m -97.56 -3.86 38.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.515 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.4 mt -80.26 95.73 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.816 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.06 -34.61 67.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.348 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 62.8 mm-40 -54.09 -44.0 70.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.627 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.515 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -76.05 -28.38 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 30.3 mtpp -74.9 -24.22 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.219 0.533 . . . . 0.0 110.168 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.0 mmt -86.33 -19.78 29.3 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.576 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 20.0 mm-40 -80.49 -51.69 8.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.783 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -63.74 -26.85 68.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.059 -174.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 731' ' ' LEU . 6.9 pt-20 -73.46 -34.76 65.53 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 736' ' ' ARG . 9.2 tp10 -77.75 -44.28 28.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.95 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.523 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.1 t -60.71 -30.94 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.9 m -65.0 -36.81 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.473 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.449 HH21 ' CD ' ' A' ' 733' ' ' GLU . 60.8 mtm-85 -77.37 -38.47 50.03 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.342 0.591 . . . . 0.0 109.533 -177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 734' ' ' VAL . 75.7 mt -61.2 -39.48 90.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.422 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.3 tp -71.39 -29.92 65.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.895 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.348 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 86.5 t80 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.086 0.469 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.77 -42.36 97.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.579 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . 0.487 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.71 -38.01 76.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -38.69 91.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.7 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.14 -48.2 79.49 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.0 pt-20 -65.46 -39.56 92.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.54 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -60.9 -43.7 98.14 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.273 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.44 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -59.45 -44.53 96.6 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.715 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.88 -41.94 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.842 0.353 . . . . 0.0 110.667 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.0 mm-40 -59.72 -40.57 88.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 56.5 m -69.62 -37.49 76.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 630' ' ' GLY . 98.3 t -63.92 -44.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 121.043 0.449 . . . . 0.0 110.237 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.62 -34.08 77.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.53 -5.91 57.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.797 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 56.0 mttp 66.81 22.9 10.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.921 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -101.63 67.45 1.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -66.45 -32.17 73.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.666 -171.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.16 -29.34 70.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.354 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.26 -35.02 21.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 0.0 109.866 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -57.07 -39.86 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.853 177.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 670' ' ' LEU . 93.2 mt -54.75 -45.5 74.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.739 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 21.7 t -65.63 -39.74 91.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.29 -44.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -70.13 -27.11 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.894 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 14.2 t -62.39 -37.78 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.02 0.438 . . . . 0.0 109.893 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.94 -25.71 63.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 63.7 m -66.27 -42.26 88.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.194 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.52 -10.32 58.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -77.01 -30.32 55.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.101 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 43.3 mt -97.0 -50.96 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.371 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 35.1 t30 -137.19 131.58 32.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -175.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -119.01 14.52 13.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.039 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.403 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.6 mmtm -102.07 2.42 37.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . 0.43 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.4 tp10 -91.48 93.0 8.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 4.1 p -61.48 -22.24 64.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.32 85.35 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.592 0.235 . . . . 0.0 110.943 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.6 mm -58.32 -45.89 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.908 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.18 -46.2 78.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -62.55 -33.86 75.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.468 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -80.68 -38.0 29.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.591 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 2.8 ttp180 -68.55 -38.61 80.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.192 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.42 -41.12 88.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.727 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 67.5 tp -60.38 -39.22 86.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.357 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.71 -37.01 83.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.557 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 19.1 m-85 -66.66 -34.29 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.349 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 88.2 mt -63.57 -30.26 71.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.379 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -85.4 -18.7 32.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.187 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 672' ' ' GLN . 72.7 mt -102.56 24.79 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.731 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 27.9 p 45.85 36.59 2.93 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.096 0.873 . . . . 0.0 112.133 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 670' ' ' LEU . 23.3 mt-30 -113.55 57.69 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.647 0.737 . . . . 0.0 109.456 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -67.14 -35.08 78.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.098 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -61.78 -33.56 74.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.45 -43.07 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.265 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -59.8 -38.79 82.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.48 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -55.66 -35.63 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.822 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -75.1 -41.23 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.725 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -45.31 94.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.664 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 42.3 m -61.51 -33.45 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.524 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.67 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 14.8 t70 -61.51 -55.12 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.78 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.609 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.3 mm100 -60.47 -36.7 78.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.294 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.11 94.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.0 110.985 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.14 -29.51 61.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.8 mm-40 -65.01 -30.32 71.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.221 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.7 mt -86.4 -44.89 11.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.268 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.66 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.72 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.56 90.35 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.39 0.614 . . . . 0.0 109.67 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.92 10.21 0.57 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.394 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -77.82 101.73 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 717' ' ' VAL . 95.4 t -57.54 -39.89 71.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.192 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.703 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 61.5 mtpt -60.24 -37.02 79.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -68.23 -44.61 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -63.12 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.334 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.562 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 66.0 t80 -62.83 -41.58 99.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.045 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 23.7 mmt180 -65.55 -40.01 92.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.701 0.286 . . . . 0.0 110.331 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 681' ' ' ASP . 23.5 ttm180 -66.9 -40.44 87.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.93 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . 0.401 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -59.66 -42.48 92.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.475 175.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 87.1 mt -67.06 -38.35 85.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 177.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' A' ' 704' ' ' LEU . . . -60.89 -53.72 53.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.48 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 57.8 m-70 -61.59 -37.3 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.45 -46.48 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.444 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.34 -20.98 75.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 700' ' ' ALA . 55.4 mt -93.43 6.52 47.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 109.849 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 60.34 29.81 19.31 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.046 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -100.61 69.17 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.032 -0.985 . . . . 0.0 108.778 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 37.0 m-85 -76.35 -27.08 56.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.542 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.93 -36.8 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.363 0.601 . . . . 0.0 109.411 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -48.01 47.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.268 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 28.4 t -59.53 -41.36 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.609 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.61 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.58 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 110.159 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.404 ' O ' HG23 ' A' ' 717' ' ' VAL . 50.4 m-20 -78.14 -35.66 48.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.597 ' O ' HG12 ' A' ' 718' ' ' ILE . 91.2 mt -65.89 -48.38 71.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.552 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 23.0 m-80 -59.02 -35.5 73.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -63.61 -42.61 98.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 691' ' ' VAL . 69.0 t -60.42 -42.68 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -61.48 -30.46 48.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 79.8 mt -78.86 -39.18 35.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 111.171 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.48 -41.83 54.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.674 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -146.21 89.88 5.86 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.119 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.48 5.87 4.84 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.762 2.308 . . . . 0.0 112.847 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.7 p -102.6 4.3 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.929 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.5 mt -83.19 99.5 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -60.33 -36.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.678 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 25.1 mm-40 -57.34 -44.29 84.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.554 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.49 -31.79 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . 0.407 ' NZ ' ' HB3' ' A' ' 728' ' ' LYS . 9.1 mtpm? -73.17 -28.8 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.27 0.557 . . . . 0.0 110.33 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.83 -19.93 29.91 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.722 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 35.8 mm-40 -75.51 -56.03 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.252 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.408 ' CA ' HD13 ' A' ' 714' ' ' LEU . 1.4 pt? -64.47 -28.56 69.75 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.348 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.55 -28.65 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.332 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 40.2 tt0 -83.36 -43.83 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.464 ' HA ' HD12 ' A' ' 737' ' ' LEU . 84.0 t -60.82 -32.77 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.173 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.3 m -62.68 -34.98 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.0 mtm105 -78.62 -40.18 35.1 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 734' ' ' VAL . 91.5 mt -59.16 -39.08 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.638 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.85 -34.33 76.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.841 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.823 -178.172 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 91.1 t80 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.215 0.531 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.07 -40.91 82.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.05 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.6 -44.06 96.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.647 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.52 -49.53 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.4 mt-10 -64.94 -43.92 91.17 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.448 -176.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -63.81 -33.79 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.84 -45.69 95.17 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 172.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.64 -43.65 85.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.264 177.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.4 mm-40 -62.57 -40.19 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.569 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 77.4 m -65.29 -38.93 91.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 176.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 630' ' ' GLY . 75.5 t -59.26 -51.13 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.833 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -67.95 -19.73 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.401 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -96.42 6.47 48.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.564 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . 0.463 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 59.4 mttp 62.91 24.41 14.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 65.8 t30 -112.3 63.34 0.63 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.725 0.774 . . . . 0.0 109.039 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.463 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 77.8 m-85 -68.9 -27.2 65.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.056 . . . . 0.0 111.612 -172.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -62.81 -30.48 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.28 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.23 -24.98 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.505 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -62.46 -40.99 98.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.732 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.3 mt -55.31 -42.82 74.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.836 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.2 m -62.1 -38.37 88.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.126 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.26 -40.79 43.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.791 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.89 -29.22 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.216 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 33.4 t -61.96 -41.93 98.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 110.01 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.93 -21.5 60.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.3 m -66.21 -40.87 90.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.124 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.81 -11.41 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.211 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.7 -33.37 72.43 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.367 0.603 . . . . 0.0 109.587 169.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.2 mt -95.82 -53.28 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.245 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 35.1 t30 -141.18 127.46 19.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.278 -172.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -116.58 9.22 14.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.466 ' C ' HD13 ' A' ' 686' ' ' LEU . 21.0 tptm -90.59 -11.8 38.9 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.621 0.725 . . . . 0.0 110.072 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.02 98.99 9.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.699 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 3.7 p -60.87 -23.94 65.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.747 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.77 69.49 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 111.4 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.582 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -71.01 -47.92 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.1 m-85 -65.48 -41.7 93.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.583 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 23.3 p -61.36 -50.92 70.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.949 0.404 . . . . 0.0 110.775 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -70.61 -31.39 68.34 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.945 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 6.4 ttp180 -68.23 -42.38 79.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.46 -41.14 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.421 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.5 -37.62 75.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.081 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.58 -48.4 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.487 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.43 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 26.5 m-85 -58.1 -31.19 66.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.686 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.5 mt -61.29 -32.6 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.413 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 639' ' ' TYR . 5.1 mptp? -83.1 -26.11 31.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.206 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.41 13.0 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.529 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 77.5 m 59.69 29.19 18.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.967 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -103.97 61.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.405 0.622 . . . . 0.0 109.474 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -66.78 -33.4 75.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.131 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.17 -39.58 95.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.22 -43.5 64.33 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -56.82 -39.54 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.688 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -55.6 -45.96 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.137 0.494 . . . . 0.0 110.476 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 682' ' ' GLN . 49.8 mt-30 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.31 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 10.0 m-20 -65.07 -45.89 83.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.349 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 47.4 m -62.45 -35.58 79.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.94 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 25.2 t70 -62.52 -46.8 86.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.182 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.581 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 17.6 mm100 -60.75 -39.44 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.57 91.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.13 -29.7 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.24 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.8 mt-30 -63.66 -29.93 71.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.3 mt -88.57 -45.25 10.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.35 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.97 104.05 8.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.654 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -79.48 90.4 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.999 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 134.23 20.07 0.84 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.52 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -79.62 105.29 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.648 HG13 HG13 ' A' ' 717' ' ' VAL . 59.7 t -58.75 -39.96 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.779 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 696' ' ' ARG . 29.4 mmmt -63.95 -34.75 78.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.065 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.12 -44.17 63.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.286 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -61.59 -47.18 86.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.888 0.375 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.493 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.1 t80 -58.58 -39.62 80.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 692' ' ' LYS . 52.6 mtt85 -72.94 -39.52 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.557 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -66.13 -34.97 79.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.02 90.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.562 173.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.4 mt -63.68 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.03 69.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.6 m-70 -63.18 -37.4 87.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.792 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -40.48 83.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -73.17 -26.43 70.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.081 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.01 10.65 23.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.657 0.265 . . . . 0.0 110.832 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 61.31 29.3 18.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.399 0.619 . . . . 0.0 110.804 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 94.5 m-20 -106.01 67.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -73.21 -29.23 62.66 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.329 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -63.21 -35.91 81.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.595 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' A' ' 709' ' ' LYS . 29.5 mmmt -77.64 -39.93 43.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.726 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.9 t -64.54 -41.66 96.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.128 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.27 -35.17 73.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.237 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.1 -36.28 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.572 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 717' ' ' VAL . 71.8 m-20 -82.31 -36.07 27.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.2 mt -67.51 -48.5 66.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.425 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -63.4 -25.82 68.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.09 -48.11 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.648 HG13 HG13 ' A' ' 691' ' ' VAL . 77.5 t -56.1 -36.55 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.498 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 714' ' ' LEU . 40.4 mm -61.71 -28.93 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.34 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 57.5 mt -84.5 -42.27 15.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.539 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.58 -36.8 76.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.66 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -151.51 93.06 3.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.236 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.51 2.96 6.3 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.774 2.316 . . . . 0.0 113.426 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.1 p -103.09 10.43 37.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 0.0 110.946 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.7 mt -87.88 104.34 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.029 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.8 mm -69.08 -38.31 78.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.09 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.68 -35.4 76.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.476 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.2 -29.47 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.746 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -73.91 -26.39 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.189 0.519 . . . . 0.0 110.275 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.6 mmt -86.94 -19.81 28.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.037 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.68 -52.62 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.503 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -26.96 67.06 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.15 -174.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.511 ' N ' HD13 ' A' ' 731' ' ' LEU . 0.0 OUTLIER -73.28 -26.36 61.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.65 . . . . 0.0 109.847 178.135 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.17 -46.88 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -62.5 -36.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.719 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 47.0 m -63.5 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.334 177.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.9 mtm105 -80.55 -39.77 27.14 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 734' ' ' VAL . 57.7 mt -57.14 -41.36 78.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.814 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.55 -36.78 84.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.727 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.004 -178.365 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 86.9 t80 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.048 0.451 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.14 -44.26 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.542 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.29 93.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.839 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.44 -42.6 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.18 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.421 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 28.3 mm-40 -59.59 -46.09 89.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.491 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.73 -39.26 87.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.567 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.64 -43.37 96.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.794 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.75 -41.33 77.37 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.607 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.6 mm-40 -63.94 -39.24 93.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.63 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 66.1 m -66.52 -38.25 86.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.446 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.36 -47.54 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.0 110.484 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -70.42 -23.97 62.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.84 -2.68 56.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.32 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt 64.31 27.63 13.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.404 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 54.4 t30 -112.18 73.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.073 176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.563 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.9 m-85 -73.84 -21.2 60.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.787 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -58.39 -43.59 88.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.363 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.86 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.119 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.32 79.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.666 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 94.6 mt -53.66 -48.84 69.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.751 176.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.2 m -62.22 -42.6 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.827 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.27 -46.61 69.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.272 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.61 -31.24 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.717 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 48.9 m -67.93 -30.8 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.974 0.416 . . . . 0.0 110.236 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.97 -32.16 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 174.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 70.1 m -62.66 -49.6 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.791 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.1 mt -56.68 -35.5 68.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.558 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 647' ' ' SER . 63.7 mttm -62.21 -23.11 66.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.444 . . . . 0.0 110.639 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.5 mt -96.23 -40.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.416 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 43.3 t30 -149.68 123.38 9.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.601 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -111.66 20.72 16.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.504 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -103.81 9.99 36.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.65 98.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.261 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 19.8 p -62.69 -25.17 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.594 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.16 78.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.757 0.313 . . . . 0.0 111.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 47.3 mm -62.32 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 64.6 m-85 -66.23 -46.35 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . 0.632 HG21 ' HG3' ' A' ' 692' ' ' LYS . 7.4 p -62.03 -35.59 79.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.766 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -80.14 -37.93 32.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.537 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.543 ' HB3' ' OD1' ' A' ' 679' ' ' ASP . 3.8 ttp180 -68.51 -36.05 78.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.748 0.308 . . . . 0.0 110.276 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -63.13 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.285 174.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.63 -41.24 66.5 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 639' ' ' TYR . 76.8 m -62.87 -50.9 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.646 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 9.3 m-85 -56.29 -39.86 73.37 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.416 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -57.58 -40.5 79.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.304 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -72.4 -28.64 63.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.4 13.15 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.973 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.7 m 60.76 35.43 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.569 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 75.7 mt-30 -106.97 67.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -70.68 -36.28 73.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.983 -169.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.5 -41.36 97.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 110.314 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.48 -34.96 65.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.069 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.8 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -55.44 -48.3 74.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.591 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.52 -43.58 96.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.371 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.543 ' OD1' ' HB3' ' A' ' 663' ' ' ARG . 5.9 m-20 -59.13 -45.77 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 61.0 m -60.83 -39.0 87.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 35.6 t70 -64.27 -46.06 85.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.308 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.1 mm100 -61.54 -34.49 75.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.67 99.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 687' ' ' ALA . 80.3 mt -71.58 -28.23 63.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.24 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.9 mm100 -60.29 -38.53 83.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.086 174.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.3 mt -83.68 -46.26 12.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.339 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 684' ' ' LEU . . . -120.88 102.58 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.44 92.76 7.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.012 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 130.59 21.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.555 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . 0.7 ' OD1' ' HG2' ' A' ' 692' ' ' LYS . 41.7 t-20 -83.1 106.98 15.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.673 HG13 HG13 ' A' ' 717' ' ' VAL . 86.0 t -57.04 -43.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.176 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.7 ' HG2' ' OD1' ' A' ' 690' ' ' ASN . 17.6 ptmt -66.74 -30.31 70.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.774 0.321 . . . . 0.0 110.793 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -66.53 -41.52 88.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.522 177.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.92 -46.12 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 110.137 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.556 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 64.9 t80 -58.7 -45.57 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.221 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 25.4 mmt180 -67.72 -35.52 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -68.86 -39.07 80.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.684 0.278 . . . . 0.0 110.416 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.23 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 77.7 mt -66.41 -38.72 88.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.448 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.2 m-70 -61.64 -36.52 81.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -58.55 -44.13 89.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.029 0.442 . . . . 0.0 110.087 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.46 -22.73 78.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.529 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 74.6 mt -93.86 12.45 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.777 0.322 . . . . 0.0 110.686 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 61.77 25.85 15.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.216 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.73 69.18 1.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.62 -32.14 60.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.836 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.592 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -65.0 -34.26 78.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -76.24 -42.77 44.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.476 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.88 -41.29 97.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.228 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 42.3 mt -58.12 -34.34 70.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.324 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 708' ' ' GLN . 66.1 mt -61.96 -41.1 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.38 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 717' ' ' VAL . 64.5 m-20 -77.18 -35.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.598 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.4 mt -66.82 -48.34 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.463 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.696 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.3 m-80 -58.63 -37.33 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.644 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 13.1 tptm -61.41 -43.9 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.344 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.673 HG13 HG13 ' A' ' 691' ' ' VAL . 70.6 t -60.12 -42.22 89.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.758 174.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -62.19 -31.62 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.801 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 65.8 mt -73.82 -45.12 53.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.312 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 85.7 mt -69.03 -46.13 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.912 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -151.59 97.73 3.08 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 121.214 0.53 . . . . 0.0 110.562 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.3 11.72 2.56 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.179 2.586 . . . . 0.0 112.675 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 40.6 m -96.65 -6.46 36.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.995 0.426 . . . . 0.0 110.354 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 727' ' ' ALA . 12.7 mt -79.91 103.26 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.0 mm -62.64 -33.71 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.427 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 36.9 mt-10 -53.4 -51.76 61.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.166 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.406 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.9 -30.27 70.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.105 -177.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.12 -29.99 68.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 24.2 mmt -87.61 -20.39 26.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.605 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 15.6 mm-40 -83.04 -45.16 14.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.96 -27.19 67.26 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.668 -176.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.504 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.6 pt-20 -71.42 -39.16 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 33.3 tt0 -66.56 -50.66 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.287 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' A' ' 737' ' ' LEU . 96.0 t -60.83 -32.09 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.993 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 91.8 m -63.76 -39.44 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.483 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -75.22 -30.58 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.239 0.542 . . . . 0.0 109.812 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 734' ' ' VAL . 69.6 mt -69.73 -40.73 76.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.184 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.3 tp -68.94 -39.43 79.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.882 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.657 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.17 0.51 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.21 -44.06 97.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.19 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.037 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.115 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.56 -46.7 89.21 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 37.5 mm-40 -62.89 -43.54 98.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.463 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -59.36 -41.15 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.094 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.04 97.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.682 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -59.4 -37.73 78.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.695 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 31.4 mm-40 -68.76 -39.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.71 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.412 ' SG ' ' HG3' ' A' ' 645' ' ' LYS . 78.8 m -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.38 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.05 -41.68 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.452 . . . . 0.0 110.52 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.59 -36.48 83.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.654 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.18 -9.83 59.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 70.8 26.37 3.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.957 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -97.66 64.44 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.461 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 61.9 m-85 -68.79 -33.57 74.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.284 -171.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -62.21 -35.08 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 9.2 t70 -89.76 -27.84 19.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 0.0 110.038 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.71 -33.66 68.63 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.23 -46.52 65.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.803 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 35.7 t -66.26 -45.17 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.324 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 30.0 mmmt -56.68 -45.21 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -72.15 -31.66 66.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.339 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 56.6 m -70.25 -29.07 65.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.89 0.376 . . . . 0.0 110.4 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 644' ' ' SER . 17.5 mm-40 -63.01 -32.67 74.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 0.0 109.839 173.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.657 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.3 m -70.6 -41.33 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.715 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.81 -30.05 68.65 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.394 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -65.45 -24.41 67.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.762 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 30.1 mt -96.52 -47.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.484 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.67 125.97 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.123 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -109.8 7.44 24.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.48 ' HA ' HD22 ' A' ' 686' ' ' LEU . 47.5 mmtm -96.67 13.64 27.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . 0.498 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.6 tp10 -105.22 100.82 10.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 10.6 p -60.32 -26.75 66.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.757 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.76 -31.68 72.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.5 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.2 mm -68.96 -50.16 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.14 -42.79 99.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 61.3 p -66.94 -41.34 87.14 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.319 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -73.27 -33.45 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.8 ttp180 -68.06 -39.74 82.94 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.611 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.18 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.315 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 668' ' ' LEU . 60.8 tp -56.72 -41.59 77.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.51 176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.3 m -64.13 -49.16 73.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.264 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 12.9 m-85 -53.78 -38.81 64.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.5 mt -57.09 -32.98 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.587 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.461 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.3 mptp? -84.8 -23.79 28.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.509 -177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.04 17.09 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 110.318 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 37.9 m 65.13 17.51 11.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.737 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -96.82 61.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.71 -37.11 85.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.42 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.14 -38.22 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.296 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.58 -39.71 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.94 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -59.72 -41.53 91.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.807 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -53.17 -38.58 62.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.146 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.39 -46.58 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -37.87 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.933 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 57.0 m -61.33 -37.47 83.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.596 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.4 t70 -69.33 -43.48 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.536 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.4 mm100 -59.28 -38.78 81.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.19 81.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.069 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.58 -28.69 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -60.46 -35.58 76.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.059 0.457 . . . . 0.0 109.886 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 32.4 mt -80.1 -50.2 10.66 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.61 104.26 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -80.35 94.37 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.99 22.62 0.91 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -94.2 104.01 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.707 HG13 HG13 ' A' ' 717' ' ' VAL . 62.9 t -52.65 -43.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.597 -172.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.73 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 43.2 mmtm -57.41 -35.35 69.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.513 0.196 . . . . 0.0 111.241 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.68 70.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -66.67 -42.34 86.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.005 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.619 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 31.5 t80 -62.33 -47.15 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.873 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 27.1 mmt180 -65.42 -39.06 91.66 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -63.46 -47.63 81.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.537 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . 0.524 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -54.93 -45.65 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.173 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 90.2 mt -61.92 -39.96 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.44 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.43 -53.04 60.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.923 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.483 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 53.3 m-70 -60.38 -35.44 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.15 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.79 -49.02 78.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.036 0.446 . . . . 0.0 110.475 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -66.74 -23.8 72.53 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.684 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.9 mt -89.87 11.06 21.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 0.0 110.644 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.85 25.3 15.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.375 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 93.2 m-20 -104.16 73.44 1.13 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -76.95 -35.63 57.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.138 -169.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 712' ' ' ILE . 8.0 tp-100 -69.46 -35.15 75.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -69.11 -39.19 79.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.161 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.8 t -67.12 -42.74 83.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.1 mt -55.99 -34.15 65.5 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 708' ' ' GLN . 78.0 mt -59.51 -45.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.354 . . . . 0.0 110.729 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 717' ' ' VAL . 5.6 m-20 -86.38 -20.41 28.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.376 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.996 ' HB3' HD12 ' A' ' 731' ' ' LEU . 26.0 mt -69.96 -52.26 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.307 173.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.584 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 35.1 m-80 -58.21 -31.89 67.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 110.019 174.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.64 ' O ' HD22 ' A' ' 720' ' ' LEU . 13.3 tptm -62.0 -48.97 77.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.632 177.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.707 HG13 HG13 ' A' ' 691' ' ' VAL . 72.4 t -55.18 -40.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.807 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 731' ' ' LEU . 38.1 mm -61.28 -29.38 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.0 mt -70.5 -58.21 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -58.27 -58.72 7.22 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.512 0.672 . . . . 0.0 111.24 177.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -135.18 89.69 22.96 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.203 -173.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.31 8.77 3.7 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.919 2.413 . . . . 0.0 112.172 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 18.5 m -98.81 7.86 45.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 110.415 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 727' ' ' ALA . 28.6 mt -91.61 106.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.281 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.3 -36.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.409 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 15.2 mm-40 -61.03 -38.85 87.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.851 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -67.82 -42.52 81.36 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . 0.541 ' HA ' HD21 ' A' ' 731' ' ' LEU . 4.0 mmmp? -55.5 -32.71 63.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.987 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 21.2 mmt -83.48 -19.12 36.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.029 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.6 mm-40 -84.47 -43.05 14.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.996 HD12 ' HB3' ' A' ' 714' ' ' LEU . 0.0 OUTLIER -63.21 -32.72 74.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.068 -179.133 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 10.9 pt-20 -74.04 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.105 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 35.1 tt0 -64.7 -53.65 44.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 737' ' ' LEU . 85.4 t -62.68 -31.6 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.668 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.4 m -65.68 -36.52 83.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.293 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 34.3 mtm-85 -74.76 -30.84 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 79.5 mt -69.38 -40.09 77.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.178 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.31 -31.26 71.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.576 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.062 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 37.0 t80 . . . . . 0 C--O 1.234 0.255 0 CA-C-O 121.098 0.475 . . . . 0.0 110.402 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -56.33 -41.73 76.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.297 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -65.85 -57.51 7.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 648' ' ' GLU . 3.1 mm? -55.64 -41.72 73.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -61.69 -51.44 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.625 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 23.2 mm-40 -65.99 -45.39 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.327 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.77 -39.4 91.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.516 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.74 -45.63 95.36 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.778 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -54.98 -42.51 72.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.545 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.9 mm-40 -65.64 -36.96 85.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.009 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.1 m -66.75 -37.54 84.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.347 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.95 -44.67 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.471 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.61 -35.76 82.06 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.341 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.59 -7.29 52.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 65.95 30.01 9.97 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.685 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -107.61 68.02 0.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 57.1 m-85 -71.16 -30.0 65.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.173 -168.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -65.24 -29.45 70.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -88.41 -31.23 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.996 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.92 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.0 mt -54.36 -45.58 72.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.699 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 23.0 t -58.58 -48.09 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -59.01 -51.72 68.87 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.496 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.29 -32.95 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.821 -175.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 68.8 m -66.84 -30.26 70.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.721 0.296 . . . . 0.0 110.473 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.498 ' HB2' ' HG ' ' A' ' 626' ' ' LEU . 70.6 mm-40 -72.23 -34.91 68.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 174.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 626' ' ' LEU . 73.9 m -57.27 -48.63 78.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.294 175.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.71 -36.99 82.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.228 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 51.0 mtpt -59.92 -27.66 66.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.509 . . . . 0.0 110.569 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.8 mt -91.71 -40.19 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.658 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.454 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 30.9 t30 -149.6 111.82 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.825 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -93.37 6.01 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.733 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -97.56 12.29 33.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.313 -176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.61 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 0.0 111.068 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.2 p -68.72 -20.5 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.782 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 52.0 mm -70.22 -46.88 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.25 -47.14 86.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.046 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 16.9 p -63.87 -34.42 77.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.412 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -73.94 -36.85 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.155 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -64.5 -43.17 94.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.004 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.42 -45.12 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.81 -39.56 74.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.771 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.82 -43.75 52.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -56.26 -40.66 74.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 86.6 mt -56.13 -36.63 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.845 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -73.34 -25.6 60.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.283 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.88 16.81 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 0.0 110.575 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.81 20.7 12.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.866 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.64 65.89 3.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.246 0.546 . . . . 0.0 110.25 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 51.4 m-85 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.023 -176.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.23 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.99 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.85 -42.6 23.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.324 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.39 77.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.538 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.99 -41.52 87.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.764 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.63 -47.33 84.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.085 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -39.42 92.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.241 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.98 -39.51 89.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.063 0.458 . . . . 0.0 110.407 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 15.5 t70 -66.98 -47.25 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.323 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 682' ' ' GLN . 9.7 mm100 -60.33 -34.12 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.182 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.21 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.03 -29.46 66.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.141 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -63.52 -35.04 79.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.127 0.489 . . . . 0.0 110.376 176.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 46.3 mt -83.77 -45.37 13.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.415 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -127.33 104.27 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.73 89.61 4.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.711 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.64 24.44 0.54 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.884 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -86.0 107.1 17.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.812 HG13 HG13 ' A' ' 717' ' ' VAL . 84.0 t -57.05 -41.05 76.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.747 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.5 -38.76 85.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.79 76.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.702 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -64.99 -52.0 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.977 0.418 . . . . 0.0 110.765 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.6 t80 -58.67 -43.18 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.29 -20.75 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.287 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -70.87 -39.06 73.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -57.46 -49.77 75.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.111 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.3 mt -59.29 -40.42 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.393 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -65.18 -29.56 70.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.33 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -79.03 -44.02 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.31 -0.244 . . . . 0.0 110.545 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -56.34 -42.42 77.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.48 -22.81 75.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.429 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.16 12.87 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt 66.45 27.66 9.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.193 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -104.07 84.59 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.647 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 23.7 m-85 -82.25 -34.82 28.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.652 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.459 HE21 HD21 ' A' ' 738' ' ' LEU . 6.2 tp-100 -66.0 -36.8 84.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 109.53 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.68 -41.68 71.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.801 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 714' ' ' LEU . 13.6 t -67.26 -34.8 78.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.891 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.19 -34.4 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.219 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.99 -47.65 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 717' ' ' VAL . 72.2 m-20 -73.42 -33.11 64.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.151 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.3 mt -67.79 -51.87 43.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -59.44 -31.73 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.267 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.539 ' O ' HD13 ' A' ' 720' ' ' LEU . 26.8 tptt -63.46 -49.74 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 176.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.812 HG13 HG13 ' A' ' 691' ' ' VAL . 77.3 t -54.94 -37.07 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.464 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 714' ' ' LEU . 38.3 mm -62.98 -28.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.665 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.2 -50.37 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.997 0.427 . . . . 0.0 109.893 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 716' ' ' LYS . 10.1 mp -56.11 -59.79 4.41 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.934 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -130.5 90.43 41.0 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.276 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.73 5.56 2.85 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.149 2.566 . . . . 0.0 113.239 -177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 13.1 m -101.13 -3.53 29.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.064 0.459 . . . . 0.0 110.432 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.5 mt -80.33 101.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.175 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.09 -40.62 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.2 pt-20 -58.69 -35.35 72.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.394 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.45 -33.81 71.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.021 0.438 . . . . 0.0 110.646 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 731' ' ' LEU . 97.8 mttt -72.77 -27.46 62.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.337 0.589 . . . . 0.0 109.733 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.26 -19.9 52.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.323 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.1 mm-40 -82.95 -46.31 13.08 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 732' ' ' GLU . 4.6 pp -60.73 -33.2 72.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 -178.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.541 ' N ' HD12 ' A' ' 731' ' ' LEU . 7.4 pt-20 -72.38 -38.95 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 9.0 tp10 -67.45 -50.44 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.293 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.451 ' HA ' HD12 ' A' ' 737' ' ' LEU . 88.5 t -61.21 -33.05 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.095 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 60.0 m -65.32 -38.7 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.507 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.51 HH21 ' CD ' ' A' ' 733' ' ' GLU . 46.7 mtm-85 -71.39 -34.15 70.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 83.4 mt -68.06 -44.2 76.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.591 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . 0.459 HD21 HE21 ' A' ' 708' ' ' GLN . 53.0 tp -68.13 -29.41 68.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.678 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.108 179.127 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.7 t80 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.154 0.502 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 624' ' ' LYS . 1.2 mptp? -68.01 -43.81 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.29 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.06 75.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.677 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.09 -44.87 83.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.659 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.88 -56.48 21.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.004 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.7 mm-40 -59.76 -44.76 93.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.626 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.48 -36.53 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.629 0.252 . . . . 0.0 110.334 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -63.23 -40.83 99.52 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.592 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -59.46 -38.11 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 110.253 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 26.5 mm-40 -66.44 -31.49 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.588 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 56.1 m -72.46 -39.3 67.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.114 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 630' ' ' GLY . 93.9 t -62.2 -46.35 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.878 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.66 -25.26 62.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.006 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.26 -4.86 54.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.26 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 63.59 25.9 14.49 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.93 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.82 65.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.18 -29.26 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.06 -170.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.38 -32.44 73.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 26.5 t70 -82.71 -33.5 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.059 0.457 . . . . 0.0 109.924 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -60.4 -38.62 84.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.807 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.408 HD11 HD12 ' A' ' 670' ' ' LEU . 91.3 mt -54.18 -48.2 71.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.805 177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 33.5 t -60.74 -37.91 83.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.613 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 31.3 mmmt -67.89 -51.48 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 34.2 m-85 -66.55 -32.17 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.593 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 49.6 m -68.49 -27.29 66.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.07 -23.31 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.2 m -66.51 -39.36 88.63 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.76 -10.82 60.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.757 0.789 . . . . 0.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -78.11 -26.43 48.01 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.912 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 40.7 mt -99.57 -51.46 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.26 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.508 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 33.7 t30 -139.86 132.84 29.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -173.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -122.2 18.23 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.401 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -105.68 10.82 32.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.312 0.577 . . . . 0.0 110.332 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.37 99.39 9.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.661 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 9.2 p -62.15 -25.4 67.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.71 72.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.344 . . . . 0.0 111.329 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 48.6 mm -66.35 -46.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.113 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -67.43 -45.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.334 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 25.8 p -63.62 -41.66 98.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.692 0.282 . . . . 0.0 111.383 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -75.78 -32.62 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -67.45 -38.95 85.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.66 -43.28 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.666 175.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.45 -42.4 82.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.9 -40.35 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.889 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 14.4 m-85 -65.0 -40.36 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.382 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -57.65 -40.08 78.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.886 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.4 -32.55 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 643' ' ' LEU . 67.8 mt -91.01 12.53 19.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 12.7 t 63.86 26.04 14.18 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.276 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -103.96 77.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 109.565 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -71.94 -42.4 66.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.5 -172.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.31 -37.52 75.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.504 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -68.32 -50.48 53.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.132 0.491 . . . . 0.0 109.912 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -60.76 -35.07 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.498 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.495 ' HB2' ' HB1' ' A' ' 700' ' ' ALA . 29.1 tttt -67.53 -47.2 70.59 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 -177.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 681' ' ' ASP . 47.2 mt-30 -68.59 -34.15 75.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.5 -46.35 89.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.574 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.65 -32.07 73.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.993 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 678' ' ' GLN . 28.1 m-20 -60.51 -45.62 93.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.541 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.0 mm100 -64.69 -39.5 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.754 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.44 93.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.49 -27.16 63.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.531 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.424 HE21 ' HA ' ' A' ' 682' ' ' GLN . 50.2 mt-30 -70.09 -20.31 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 175.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.4 mt -97.44 -43.27 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -122.81 103.78 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.991 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.13 89.15 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.104 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.55 16.13 1.35 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.054 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -75.21 105.24 6.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.629 HG13 HG13 ' A' ' 717' ' ' VAL . 88.7 t -59.01 -39.53 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.101 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.96 -32.2 73.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.617 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.88 66.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.66 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -66.01 -49.13 68.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.088 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.536 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 78.5 t80 -58.33 -43.9 88.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.513 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -80.36 -26.89 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.563 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -69.41 -36.93 77.19 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -60.56 -47.47 86.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.754 174.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 88.6 mt -59.59 -39.21 83.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' ' 677' ' ' LYS . . . -67.71 -50.9 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.477 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 38.8 m-70 -55.6 -42.61 75.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 110.144 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.84 -46.02 81.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.118 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.07 -21.02 73.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.444 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.43 6.54 48.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.362 . . . . 0.0 110.462 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 65.4 mttp 65.36 24.22 12.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -94.69 66.65 3.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -75.57 -33.8 60.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.382 -168.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.89 -33.59 76.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.372 0.606 . . . . 0.0 109.639 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 709' ' ' LYS . 29.9 mmmt -77.08 -43.19 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 20.0 t -62.31 -41.03 98.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.467 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.69 -31.35 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.699 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.81 -38.07 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.979 0.418 . . . . 0.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 717' ' ' VAL . 84.3 m-20 -79.08 -37.42 38.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.603 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.6 mt -65.06 -46.28 81.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.367 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 24.0 m-80 -62.22 -37.71 86.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.82 -44.51 90.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.404 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.629 HG13 HG13 ' A' ' 691' ' ' VAL . 76.2 t -60.65 -37.57 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.699 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 714' ' ' LEU . 42.6 mm -66.48 -29.45 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.054 0.454 . . . . 0.0 110.547 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 53.2 mt -76.84 -43.3 36.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.31 -48.04 58.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.815 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -144.35 91.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.111 0.481 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.88 7.64 2.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.008 2.472 . . . . 0.0 112.642 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.5 m -93.15 -5.95 49.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 727' ' ' ALA . 25.1 mt -84.02 103.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.151 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.1 -33.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.232 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 32.9 mt-10 -54.07 -46.85 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.784 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.99 -27.06 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 -177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.17 -31.88 70.82 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.291 0.567 . . . . 0.0 110.06 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.7 mmt -85.35 -27.88 25.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.851 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 734' ' ' VAL . 16.8 mm-40 -77.52 -45.01 26.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.341 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.3 OUTLIER -68.57 -30.09 68.78 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.083 -176.105 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.64 -35.81 75.54 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.92 -50.75 39.04 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.088 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.562 ' HA ' HD12 ' A' ' 737' ' ' LEU . 86.4 t -58.46 -34.77 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 98.6 m -60.92 -41.32 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -76.47 -36.24 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.607 . . . . 0.0 109.598 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 734' ' ' VAL . 68.9 mt -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.747 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.18 -33.67 76.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.773 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.862 179.247 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.9 t80 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.023 0.439 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -66.24 -41.54 89.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.645 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . 0.419 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -65.29 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.664 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.75 -38.05 62.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . 0.412 ' HD3' HD11 ' A' ' 659' ' ' ILE . 29.8 ttpp -71.8 -36.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 629' ' ' GLU . 10.1 pt-20 -66.23 -43.32 86.96 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.735 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 628' ' ' GLU . 8.9 pt-20 -74.18 -28.85 61.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.45 -44.69 97.25 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.38 -36.1 73.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 110.446 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.3 mm-40 -66.35 -42.45 88.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.422 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 81.3 m -64.26 -36.92 85.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 630' ' ' GLY . 88.0 t -61.93 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.92 -24.47 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.845 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.5 -10.43 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.435 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 71.54 22.15 4.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.871 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -104.99 73.15 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.689 0.757 . . . . 0.0 109.11 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 669' ' ' LYS . 77.8 m-85 -74.99 -32.05 61.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.688 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -58.89 -34.59 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.251 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 6.6 m-20 -86.22 -32.1 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.589 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.34 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 98.6 mt -52.5 -48.15 66.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 22.2 t -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.746 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 71.5 mmtt -58.13 -52.18 66.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.326 0.584 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.402 ' HB3' HG23 ' A' ' 659' ' ' ILE . 36.3 m-85 -67.99 -28.36 67.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.415 -178.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.3 m -65.96 -35.98 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.959 0.409 . . . . 0.0 110.335 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.01 -30.6 63.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.219 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.7 m -62.06 -42.64 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.263 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.5 -32.13 72.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.29 -29.56 70.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.37 0.605 . . . . 0.0 110.049 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.1 mt -90.36 -47.81 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.558 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -146.77 125.64 12.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -108.78 1.81 21.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.416 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.8 mmtm -95.44 16.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.44 . . . . 0.0 110.949 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -105.53 108.07 19.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.468 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 15.7 p -67.21 -23.52 65.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.192 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.53 80.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.412 HD11 ' HD3' ' A' ' 627' ' ' LYS . 48.5 mm -64.5 -53.21 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.653 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 63.2 m-85 -59.08 -47.11 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.556 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.6 p -60.61 -35.16 75.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -75.57 -39.06 58.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.117 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -61.7 -41.44 97.61 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.83 -46.56 84.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.56 -40.97 84.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 110.29 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.493 ' HA ' ' CD2' ' A' ' 639' ' ' TYR . 84.7 m -65.01 -49.13 71.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.573 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 12.2 m-85 -56.11 -41.57 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.33 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.2 mt -55.36 -38.02 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.511 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 33.4 mmtp -77.28 -23.04 51.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.555 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.415 ' HB2' HE21 ' A' ' 672' ' ' GLN . 3.2 mm? -95.48 11.07 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.814 0.34 . . . . 0.0 110.341 173.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.95 20.98 12.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 48.1 mt-30 -90.05 65.54 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.323 0.582 . . . . 0.0 109.484 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 41.6 m-85 -69.13 -36.33 77.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.367 -172.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.76 -45.62 85.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.63 -36.66 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.341 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.34 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.999 0.428 . . . . 0.0 110.786 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.7 ttmt -56.43 -48.93 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.71 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -68.14 -38.42 82.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.496 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -64.78 -43.36 93.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.822 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.997 0.427 . . . . 0.0 110.122 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 16.1 t70 -63.89 -48.72 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.305 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.3 mm100 -60.13 -35.26 74.89 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.22 83.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.747 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.13 -29.63 60.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 72.5 mm-40 -60.63 -35.36 75.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.298 0.57 . . . . 0.0 109.766 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 655' ' ' LYS . 30.5 mt -88.46 -38.47 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.101 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.78 104.14 7.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.58 88.92 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.539 . . . . 0.0 110.076 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.77 20.09 0.7 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.762 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -86.74 107.13 18.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 717' ' ' VAL . 50.2 t -58.42 -41.46 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.609 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.12 -36.4 77.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -44.49 68.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.57 -51.9 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.475 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.9 t80 -59.52 -41.63 90.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.329 -175.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.41 -25.71 38.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.565 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -71.31 -36.37 71.58 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.65 98.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.496 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 92.2 mt -64.94 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -63.31 -50.88 68.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.492 177.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.507 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 49.3 m-70 -61.06 -39.04 88.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.922 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.71 -38.64 72.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.817 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.76 -29.77 58.86 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.527 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.59 7.84 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 110.99 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 65.42 33.62 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 709' ' ' LYS . 42.4 m-80 -106.62 65.91 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -70.99 -32.03 68.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.3 tp-100 -66.28 -40.04 89.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.161 0.505 . . . . 0.0 109.667 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 706' ' ' ASN . 29.0 mmtp -69.3 -41.47 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.0 t -62.02 -42.83 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.116 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.13 -34.38 71.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.496 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.6 mt -62.81 -35.85 72.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.012 0.434 . . . . 0.0 110.474 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 717' ' ' VAL . 63.9 m-20 -81.51 -36.52 29.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.0 mt -66.36 -48.13 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.526 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.42 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.1 m-80 -61.9 -31.24 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 176.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.634 ' O ' HD22 ' A' ' 720' ' ' LEU . 17.7 tptm -66.08 -45.16 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.355 176.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 691' ' ' VAL . 71.4 t -55.72 -38.6 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.704 175.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.8 mm -62.04 -25.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.628 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.0 mt -75.57 -55.53 5.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.738 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -57.52 -59.02 5.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.377 0.608 . . . . 0.0 111.256 176.015 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.36 95.08 8.31 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.193 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 8.41 3.85 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.032 2.488 . . . . 0.0 112.729 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 5.4 t -96.01 -7.54 36.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.423 0.63 . . . . 0.0 109.583 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 727' ' ' ALA . 21.4 mt -74.06 108.15 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.882 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.6 mm -60.68 -38.67 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.333 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -56.88 -45.88 82.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.96 -33.75 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.808 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -72.99 -27.81 62.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.318 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.9 mmt -86.41 -22.65 26.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.95 -52.13 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.626 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.2 -25.3 67.64 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.108 -173.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.506 ' N ' HD13 ' A' ' 731' ' ' LEU . 6.2 pt-20 -72.46 -36.67 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.969 0.414 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.492 ' CD ' HH21 ' A' ' 736' ' ' ARG . 8.8 tp10 -79.68 -43.64 22.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.411 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 737' ' ' LEU . 94.0 t -60.88 -32.56 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 -34.51 78.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . 0.492 HH21 ' CD ' ' A' ' 733' ' ' GLU . 55.7 mtm-85 -79.73 -37.49 35.44 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 734' ' ' VAL . 83.4 mt -60.84 -43.18 98.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.424 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.92 -33.35 75.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.763 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.726 -179.443 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . . . . . . . . . 72.1 t80 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.159 0.505 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -64.57 -54.86 25.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.513 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.56 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.331 0.395 . . . . 0.0 111.319 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 70.0 mt -62.44 -44.95 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.18 -44.83 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.164 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.57 -31.33 66.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.43 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.7 -38.39 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.753 0.311 . . . . 0.0 110.244 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.15 84.89 Favored Glycine 0 N--CA 1.454 -0.141 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.048 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.941 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.1 -29.62 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 64.9 m -61.5 -39.46 91.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.45 -42.75 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.28 -34.18 77.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.29 -5.75 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.308 0.575 . . . . 0.0 110.851 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.76 35.14 6.99 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.174 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -106.22 65.03 0.68 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.496 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 78.1 m-85 -69.62 -27.8 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.188 -170.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 670' ' ' LEU . 54.0 mttm -60.54 -36.63 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.155 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.88 -38.41 25.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.61 -36.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.209 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 670' ' ' LEU . 78.8 mt -52.77 -48.78 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 176.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 23.0 t -64.29 -43.38 94.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.472 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -59.82 -48.37 81.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' ' 659' ' ' ILE . 32.0 m-85 -69.65 -29.96 67.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.1 m -69.79 -28.6 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.393 . . . . 0.0 110.29 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 644' ' ' SER . 21.2 mm-40 -69.13 -36.54 77.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.803 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . . . . . . . . . 77.0 m -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.24 -37.97 75.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.084 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.03 -24.28 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.763 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 29.9 mt -92.65 -41.08 12.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.349 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -152.85 113.75 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.434 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -96.65 6.03 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.94 0.4 . . . . 0.0 110.398 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . 0.421 ' C ' HD13 ' A' ' 686' ' ' LEU . 47.8 mmtm -92.77 -0.34 57.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.727 -178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -94.56 112.5 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.182 0.515 . . . . 0.0 111.063 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.0 p -66.72 -28.78 68.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.633 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.31 79.26 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 646' ' ' TYR . 50.3 mm -61.87 -48.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.461 ' HB2' ' HB2' ' A' ' 683' ' ' ALA . 77.9 m-85 -60.51 -44.52 95.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.179 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 48.7 p -64.99 -31.85 73.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.94 0.4 . . . . 0.0 111.41 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -78.75 -36.39 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.708 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -65.2 -41.59 94.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.651 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.78 -45.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.249 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.64 -40.28 78.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.092 0.472 . . . . 0.0 110.644 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.73 -41.45 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.552 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -61.24 -40.9 95.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.214 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 90.8 mt -57.37 -44.23 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.496 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 14.2 mptt -70.02 -24.85 63.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.832 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 643' ' ' LEU . 32.0 mt -96.55 12.94 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.254 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 62.87 28.67 16.47 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.073 0.463 . . . . 0.0 111.372 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.11 60.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.672 0.748 . . . . 0.0 109.659 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.29 -35.25 79.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.052 -173.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.62 -38.68 88.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -77.26 -35.37 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.476 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.64 93.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.404 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.1 ttmt -54.58 -47.64 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.627 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.94 -42.15 97.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.374 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 62.0 m -63.68 -40.33 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.7 t70 -65.62 -39.44 91.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.059 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.546 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 0.0 OUTLIER -63.78 -37.38 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.582 175.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . 0.461 ' HB2' ' HB2' ' A' ' 660' ' ' TYR . . . -64.97 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.2 mt -70.74 -28.19 64.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.351 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 25.4 mt-30 -64.36 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.185 0.516 . . . . 0.0 109.876 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.3 mt -81.33 -44.71 17.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.35 104.04 7.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.71 92.57 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.395 0.617 . . . . 0.0 109.901 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.09 15.13 0.71 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.186 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -84.84 109.55 18.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 109.597 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.852 HG13 HG13 ' A' ' 717' ' ' VAL . 98.5 t -55.5 -42.28 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.702 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 67.6 mttm -62.01 -39.58 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.14 83.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -64.07 -47.82 78.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.208 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.672 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.6 t80 -61.36 -45.93 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.127 -176.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -65.41 -39.17 91.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.476 0.179 . . . . 0.0 110.855 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 47.3 ttp180 -68.34 -39.67 81.84 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.481 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.685 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 78.3 mt -66.46 -38.28 87.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.44 70.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.532 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.8 m-70 -59.59 -38.2 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.958 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -57.38 -41.76 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.379 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.66 -22.65 74.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 56.3 mt -94.15 10.57 33.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.981 0.42 . . . . 0.0 110.246 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.09 34.17 23.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.149 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 92.3 m-20 -105.17 67.66 0.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.314 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.423 -168.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.64 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -66.07 -36.64 83.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.498 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.5 t -63.41 -42.41 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 45.9 mt -57.92 -34.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.442 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 708' ' ' GLN . 79.7 mt -58.69 -46.55 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.608 177.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.3 m-20 -76.53 -32.65 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.587 ' O ' HG12 ' A' ' 718' ' ' ILE . 95.9 mt -67.61 -48.4 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.414 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.5 m-80 -60.82 -26.87 67.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.637 175.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.609 ' O ' HD22 ' A' ' 720' ' ' LEU . 15.2 tptm -72.47 -44.89 61.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.476 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.852 HG13 HG13 ' A' ' 691' ' ' VAL . 72.4 t -57.05 -37.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.2 mm -62.65 -25.39 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.623 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 46.6 mt -73.43 -58.58 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.687 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.4 OUTLIER -58.61 -59.1 5.92 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 111.29 177.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -130.24 89.75 43.89 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.987 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.97 3.93 6.18 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.048 2.499 . . . . 0.0 113.395 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.3 m -99.24 -0.11 42.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.68 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.0 mt -80.68 102.74 6.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 729' ' ' MET . 48.5 mm -60.5 -38.01 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.638 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.0 mm-40 -57.05 -41.47 78.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.837 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.91 -32.24 70.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.722 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -71.21 -27.36 63.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.29 0.567 . . . . 0.0 110.079 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.6 mmt -85.81 -25.16 26.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.433 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 18.0 mm-40 -75.01 -49.23 20.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.797 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 714' ' ' LEU . 1.3 pt? -67.57 -26.29 66.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.884 -175.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.94 -37.31 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.731 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 31.2 tt0 -66.64 -50.62 62.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -61.94 -30.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.214 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 88.8 m -64.08 -38.68 91.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.258 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 58.2 mtm-85 -75.64 -29.67 59.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 109.699 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 734' ' ' VAL . 79.1 mt -69.64 -37.94 76.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.91 174.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.06 -31.87 70.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.395 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.547 176.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 89.0 t80 . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -64.67 -43.11 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.125 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -63.0 -45.88 90.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.512 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.69 -44.77 95.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.471 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.68 -48.67 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.513 . . . . 0.0 110.694 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.41 -21.71 48.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.328 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.03 -32.0 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.0 -35.98 92.53 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.5 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.87 -41.14 86.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 110.156 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.15 -38.18 89.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.717 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.18 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.427 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -40.44 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.679 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -65.31 -33.47 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.659 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.45 -0.76 47.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.741 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp 67.31 28.98 7.77 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.67 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 641' ' ' ASP . 47.4 t30 -104.12 76.9 1.38 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.058 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.496 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 49.4 m-85 -77.89 -34.62 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.297 -170.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.41 -35.05 78.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.77 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . 0.437 ' HB2' ' ND2' ' A' ' 638' ' ' ASN . 1.1 m-20 -89.25 -25.25 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.665 0.269 . . . . 0.0 110.672 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.92 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.224 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 90.8 mt -54.16 -45.7 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.539 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 14.9 m -63.87 -40.0 95.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.801 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.5 -48.25 82.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.559 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -70.29 -26.6 63.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.209 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 19.2 t -68.5 -33.87 74.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.5 mm-40 -64.1 -34.89 79.07 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.976 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 61.1 m -66.45 -38.57 87.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.723 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.73 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.273 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -75.69 -31.73 59.84 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.988 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 50.3 mt -98.15 -53.07 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.094 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.482 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 8.8 t30 -140.58 110.35 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 111.633 -171.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -102.61 20.22 17.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.864 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -95.72 -11.31 27.24 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.268 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . 0.422 ' CG ' HG12 ' A' ' 659' ' ' ILE . 9.3 tp10 -85.68 98.24 10.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.657 -177.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.308 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.4 71.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.428 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 656' ' ' GLU . 48.0 mm -65.47 -45.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.19 0.519 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 97.3 m-85 -64.95 -44.68 88.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.854 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -65.39 -33.36 75.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -72.65 -39.37 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.863 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -64.49 -46.67 81.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.625 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.704 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.39 -46.98 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.788 176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 639' ' ' TYR . 75.3 m -65.68 -45.02 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -56.26 -33.62 65.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.655 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.2 mt -58.8 -33.64 70.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 669' ' ' LYS . 0.4 OUTLIER -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.125 -177.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.58 7.74 25.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.095 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 22.5 t 64.81 23.97 12.75 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.375 0.607 . . . . 0.0 110.876 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -100.89 55.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.526 0.679 . . . . 0.0 109.794 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -62.68 -31.33 72.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.526 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.93 -38.95 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.837 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.73 -33.28 25.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.675 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.69 82.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.958 0.408 . . . . 0.0 110.736 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -56.22 -44.8 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.725 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.14 -39.72 63.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.297 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -61.58 -44.64 96.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.7 m -60.54 -34.61 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 27.4 t70 -67.03 -48.84 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.8 mm100 -59.69 -34.16 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.42 96.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.629 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.74 -26.14 61.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 80.6 mm-40 -65.42 -37.25 86.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.236 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 40.3 mt -80.31 -42.63 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.343 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.65 103.79 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.315 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.46 89.78 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.374 0.607 . . . . 0.0 110.214 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 136.59 32.57 0.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.861 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.625 HG13 HG13 ' A' ' 717' ' ' VAL . 61.5 t -58.64 -37.5 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.556 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.15 -36.64 78.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.7 -42.92 70.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.297 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.405 ' CE2' ' HG2' ' A' ' 716' ' ' LYS . 67.3 m-85 -65.74 -49.77 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.381 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.511 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 85.7 t80 -60.1 -41.01 91.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.309 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.39 -22.88 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.593 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.468 ' HD2' ' OD2' ' A' ' 713' ' ' ASP . 23.2 ttm180 -70.15 -39.33 75.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 170.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.34 91.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.4 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -65.08 -37.03 86.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.04 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -61.79 -38.99 90.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.599 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -57.18 -41.0 78.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.431 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.91 -24.76 76.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.331 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 53.7 mt -94.09 10.35 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.18 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.28 28.13 17.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.325 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -96.35 70.42 2.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 737' ' ' LEU . 27.0 m-85 -77.32 -28.46 53.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.271 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.651 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -67.3 -39.4 85.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -68.94 -47.09 66.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.668 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.7 t -59.35 -42.3 91.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.475 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.59 -42.79 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.994 0.426 . . . . 0.0 110.302 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.468 ' OD2' ' HD2' ' A' ' 697' ' ' ARG . 25.6 m-20 -77.34 -33.62 55.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' ' 731' ' ' LEU . 98.9 mt -68.31 -47.04 68.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.544 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 42.2 m-80 -62.16 -29.83 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.656 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . 0.405 ' HG2' ' CE2' ' A' ' 694' ' ' PHE . 13.4 tppt? -66.77 -43.94 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.625 HG13 HG13 ' A' ' 691' ' ' VAL . 80.5 t -58.23 -36.15 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.379 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.2 mm -65.4 -29.34 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 110.662 178.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.6 mt -76.73 -39.85 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.293 0.568 . . . . 0.0 110.504 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 80.1 mt -76.86 -44.82 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.687 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -145.77 94.05 5.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.013 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.25 3.92 5.32 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.981 2.454 . . . . 0.0 113.309 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 35.7 m -98.73 -1.54 40.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.94 0.4 . . . . 0.0 110.536 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.495 HG22 ' H ' ' A' ' 727' ' ' ALA . 17.4 mt -78.87 99.67 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.502 . . . . 0.0 110.082 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.71 -35.0 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.457 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.79 -42.84 76.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.822 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.495 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -71.3 -33.2 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.4 -30.36 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.5 mmt -86.03 -25.76 25.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.152 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.13 -44.66 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.548 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.4 OUTLIER -68.07 -26.7 65.98 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.765 -176.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.4 pt-20 -73.31 -37.9 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 6.9 tp10 -66.05 -51.19 60.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.826 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 737' ' ' LEU . 89.3 t -62.39 -33.63 60.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.522 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 96.2 m -63.47 -37.22 86.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -77.82 -38.77 45.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 734' ' ' VAL . 91.4 mt -58.36 -42.52 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 174.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.06 -30.84 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.834 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.467 -179.444 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 73.6 t80 . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.24 0.543 . . . . 0.0 110.056 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 59.9 mttp -71.57 -41.27 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.784 -176.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.8 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.41 . . . . 0.0 110.629 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 33.1 mt -60.17 -41.27 92.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.701 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -64.52 -49.32 71.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.42 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 46.6 mt-10 -60.0 -52.61 64.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.419 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.41 -29.87 68.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.656 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.45 -41.92 99.74 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.47 -40.14 85.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.054 0.454 . . . . 0.0 110.128 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.3 mm-40 -62.53 -39.14 92.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.98 -41.48 95.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.303 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 630' ' ' GLY . 92.3 t -59.9 -47.47 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.756 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -67.32 -31.86 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.073 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.07 3.81 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.298 0.571 . . . . 0.0 110.496 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm 62.28 29.34 17.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.302 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -108.65 73.03 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.65 0.738 . . . . 0.0 109.073 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.534 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -74.63 -23.09 58.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.516 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -59.31 -45.92 89.99 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.773 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -75.59 -36.22 60.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.43 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.658 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -52.18 -50.91 60.92 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 648' ' ' GLU . 12.9 m -64.02 -46.05 86.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.879 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.2 -46.49 90.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.519 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 662' ' ' ASN . 27.3 m-85 -67.71 -31.96 72.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.403 . . . . 0.0 110.79 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 53.5 m -71.38 -23.61 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.11 0.481 . . . . 0.0 110.437 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 644' ' ' SER . 45.1 mt-10 -76.45 -28.41 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.063 173.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 84.1 m -65.61 -45.24 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.163 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.76 -28.46 68.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.313 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 647' ' ' SER . 65.3 mttp -61.86 -26.55 68.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 110.605 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.29 -46.74 12.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.778 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.472 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 34.2 t30 -142.16 122.91 14.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.614 -178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -105.21 6.48 33.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -100.42 16.43 24.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.999 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -105.9 98.35 8.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.056 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . 0.477 ' HB2' ' HB1' ' A' ' 683' ' ' ALA . 29.8 p -59.89 -25.99 65.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.703 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.89 -28.79 70.29 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.568 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.0 mm -71.18 -44.09 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 110.153 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . 0.473 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.5 m-85 -63.29 -44.64 94.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.17 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.5 p -66.07 -32.66 74.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . 0.414 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 75.5 m-20 -74.59 -38.59 62.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.074 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -64.09 -42.64 96.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.6 -45.7 81.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.42 -42.16 77.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.9 m -68.03 -46.82 70.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.669 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 17.8 m-85 -56.36 -38.23 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.458 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 93.6 mt -56.4 -36.12 68.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.9 -37.4 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.74 14.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.593 0.235 . . . . 0.0 111.155 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 9.8 t 66.17 21.04 11.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.066 174.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 76.1 mt-30 -100.79 65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.401 0.62 . . . . 0.0 109.941 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 65.2 m-85 -69.42 -32.18 70.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.954 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.53 -42.58 78.26 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . 0.56 ' HA ' ' NE2' ' A' ' 678' ' ' GLN . 11.6 mm-40 -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -60.58 -43.38 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.194 178.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -57.74 -42.39 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' A' ' 675' ' ' GLU . 37.0 mt-30 -59.28 -46.47 88.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.995 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.6 OUTLIER -63.2 -38.38 90.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 62.1 m -57.37 -49.25 76.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -65.17 -33.47 76.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.563 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.57 -27.39 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.211 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 657' ' ' CYS . . . -80.88 -26.93 36.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.286 0.565 . . . . 0.0 109.763 -176.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' A' ' 694' ' ' PHE . 4.5 mm? -73.34 -31.5 64.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.558 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.62 -34.93 78.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.136 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.0 mt -84.59 -44.54 13.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.424 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.76 104.34 7.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.87 90.57 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.182 0.515 . . . . 0.0 110.158 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.46 21.57 1.03 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.09 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.59 105.5 11.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 110.27 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 717' ' ' VAL . 87.3 t -58.25 -38.17 67.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.229 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 76.0 mmtt -56.65 -35.42 68.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.441 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -77.59 -38.13 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.456 -176.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 684' ' ' LEU . 60.7 m-85 -66.44 -40.57 89.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 110.035 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.543 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 60.1 t80 -60.94 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.5 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.8 mmt180 -66.17 -46.05 78.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.486 ' HD2' ' OD1' ' A' ' 713' ' ' ASP . 19.2 ttm180 -58.57 -41.64 86.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.75 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.85 75.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 80.0 mt -62.42 -37.55 86.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.229 0.537 . . . . 0.0 110.209 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -68.7 -27.43 65.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.439 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -80.75 -39.84 26.25 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.123 -0.36 . . . . 0.0 110.128 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.832 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.55 -20.81 74.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.947 -0.645 . . . . 0.0 112.851 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 60.3 mt -94.93 6.6 48.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 64.33 28.35 13.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.021 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -98.7 64.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -73.12 -30.83 63.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.491 -171.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -65.07 -32.18 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.627 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -81.83 -42.3 19.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.789 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.3 t -61.3 -40.58 94.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.233 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.3 -32.69 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.448 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.33 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.974 0.416 . . . . 0.0 110.428 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.486 ' OD1' ' HD2' ' A' ' 697' ' ' ARG . 38.4 m-20 -79.38 -36.11 39.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.7 mt -64.36 -46.57 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.246 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.641 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 19.0 m-80 -60.13 -38.72 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.89 -42.86 90.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.289 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 691' ' ' VAL . 74.2 t -59.57 -41.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.636 175.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -64.0 -33.26 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 110.746 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.8 mt -73.96 -39.85 63.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.03 -47.12 21.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.712 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -142.92 88.72 8.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.005 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.6 5.54 4.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.844 2.363 . . . . 0.0 113.299 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 22.3 m -96.93 -0.06 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.222 0.534 . . . . 0.0 110.206 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 727' ' ' ALA . 19.7 mt -82.27 106.25 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.25 -33.91 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.558 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -53.57 -49.36 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.7 -29.41 67.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.03 -178.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -72.48 -30.05 64.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.34 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.48 -28.62 23.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -77.19 -47.2 20.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.886 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -25.46 66.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.863 -174.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.604 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.0 pt-20 -77.09 -29.85 55.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 109.71 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.18 -46.22 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.094 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.0 t -59.94 -34.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.224 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 52.9 m -66.26 -35.31 80.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.525 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -72.05 -41.15 67.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 734' ' ' VAL . 49.3 mt -59.32 -40.3 85.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.752 175.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.4 -35.08 78.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.086 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.342 -179.22 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 84.2 t80 . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 30.1 mtpp -61.31 -46.83 88.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.14 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -59.09 -49.32 78.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.13 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.68 -41.38 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.111 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -58.91 -41.09 86.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 38.8 mt-10 -73.34 -48.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.694 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 11.1 pt-20 -70.54 -26.59 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.841 -177.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.6 -37.12 88.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.72 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.74 -34.99 79.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.108 0.48 . . . . 0.0 110.295 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.307 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.38 -40.44 90.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.784 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.21 -42.49 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.002 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -73.89 -24.43 59.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.44 . . . . 0.0 110.712 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.98 -7.07 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.028 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 67.27 25.55 8.8 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.391 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -107.88 69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.113 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' TYR . . . . . 0.486 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 91.2 m-85 -70.64 -30.83 67.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.972 -172.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -66.39 -25.87 66.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.66 -36.24 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.893 0.377 . . . . 0.0 110.127 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.58 70.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.296 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 643' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 92.8 mt -54.02 -50.89 65.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.417 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 7.1 m -58.99 -45.37 90.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.45 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.96 -55.92 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' TYR . . . . . 0.435 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 24.4 m-85 -67.63 -32.92 73.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.71 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -67.08 -33.13 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.813 0.339 . . . . 0.0 110.681 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 644' ' ' SER . 12.3 mm-40 -72.63 -25.19 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' CYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 82.0 m -67.28 -36.8 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.99 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.99 -11.72 61.08 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 121.466 0.65 . . . . 0.0 111.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -76.39 -26.13 55.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.343 0.592 . . . . 0.0 109.755 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.67 -51.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.167 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' ASN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 41.0 t30 -139.25 128.77 24.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -174.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -118.88 16.89 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.082 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.16 10.75 37.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 0.0 110.365 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.79 100.77 10.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.849 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 29.1 p -62.02 -26.11 68.05 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.24 88.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.97 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' ILE . . . . . 0.683 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 49.8 mm -59.0 -34.96 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -74.56 -43.27 56.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.908 0.385 . . . . 0.0 110.913 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' THR . . . . . 0.461 HG21 HD21 ' A' ' 690' ' ' ASN . 14.9 p -67.54 -38.84 84.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -82.02 -24.49 35.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.66 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' ARG . . . . . 0.683 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -69.0 -41.33 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' ALA . . . . . 0.541 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.71 -43.67 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.912 176.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.84 -40.85 81.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.04 0.447 . . . . 0.0 110.496 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 68.6 m -67.24 -45.4 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.37 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -58.28 -37.18 74.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.321 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -60.42 -31.61 70.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -79.46 -32.06 42.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.191 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.78 16.74 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.65 0.262 . . . . 0.0 110.812 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 48.6 t 57.52 39.81 27.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.382 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -110.4 67.53 0.65 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.338 0.589 . . . . 0.0 109.613 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -65.94 -39.75 90.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.612 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.96 -37.21 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.311 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -72.35 -51.07 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.279 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.77 -35.6 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.005 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 701' ' ' HIS . 26.4 tttt -68.4 -39.64 81.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.707 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.03 -33.14 61.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.699 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.26 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.729 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' CYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 74.3 m -63.33 -31.64 72.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 11.5 t70 -65.15 -44.64 87.94 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.8 mm100 -59.4 -39.76 84.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.438 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.29 95.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.959 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.41 -32.49 71.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -59.33 -35.13 73.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 28.2 mt -88.69 -40.99 12.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.752 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.79 103.18 7.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.49 95.31 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.374 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 125.85 19.24 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.06 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' ASN . . . . . 0.461 HD21 HG21 ' A' ' 661' ' ' THR . 45.9 t30 -82.84 105.18 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 717' ' ' VAL . 97.8 t -60.32 -38.21 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.157 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.0 -32.04 70.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.5 54.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.762 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -64.85 -50.14 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' TYR . . . . . 0.53 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 79.9 t80 -59.15 -47.26 85.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.639 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.8 -23.22 49.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.428 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 34.5 ttp180 -72.57 -37.65 68.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.66 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.513 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 71.1 mt -65.2 -39.05 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.111 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.36 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.705 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 701' ' ' HIS . . . . . 0.476 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 36.2 m-70 -55.57 -43.94 76.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -56.13 -44.74 79.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.687 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.74 75.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.336 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 69.5 mt -93.75 7.75 43.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.462 . . . . 0.0 110.038 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 62.84 31.31 16.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.907 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -100.0 72.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -76.14 -37.28 58.2 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.362 -169.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 708' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -65.43 -36.9 85.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.228 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.36 -43.0 64.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.804 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.2 t -61.49 -40.77 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 735' ' ' THR . 49.6 mt -61.07 -32.86 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.625 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 712' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 708' ' ' GLN . 68.4 mt -63.43 -42.25 95.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.89 0.376 . . . . 0.0 110.197 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 713' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.7 m-20 -73.36 -39.44 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.541 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.1 mt -65.05 -47.73 76.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . 0.622 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 14.1 m-80 -59.37 -36.73 76.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.683 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -62.8 -43.21 99.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.667 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 717' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 691' ' ' VAL . 83.7 t -59.97 -37.71 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.254 176.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 718' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 714' ' ' LEU . 48.2 mm -64.28 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.657 177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 719' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 61.8 mt -78.84 -46.41 18.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.114 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.08 -44.23 60.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.87 88.64 8.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.84 6.87 3.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.859 2.373 . . . . 0.0 113.035 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.2 m -99.14 -2.0 38.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 724' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 727' ' ' ALA . 27.0 mt -80.63 103.69 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 729' ' ' MET . 47.4 mm -61.84 -35.48 68.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.55 -46.86 70.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.699 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 727' ' ' ALA . . . . . 0.503 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.24 -32.79 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -67.12 -31.5 71.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.258 0.551 . . . . 0.0 110.192 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 729' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 23.8 mmt -86.39 -23.43 26.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.051 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.95 -44.77 16.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 731' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.9 OUTLIER -68.4 -29.64 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.986 -0.685 . . . . 0.0 110.552 -177.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 732' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -71.02 -27.93 64.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.017 0.437 . . . . 0.0 109.826 178.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.62 -51.85 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.406 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 734' ' ' VAL . . . . . 0.513 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.9 t -62.49 -32.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 735' ' ' THR . . . . . 0.407 ' HA ' HD11 ' A' ' 711' ' ' LEU . 56.4 m -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 110.387 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -80.98 -31.85 34.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 737' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.1 mt -64.72 -45.93 84.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.149 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.03 -28.55 69.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.369 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.031 0.444 . . . . 0.0 111.373 -179.452 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.03 -0.428 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -61.5 120.25 7.81 Favored 'Trans proline' 0 C--O 1.233 0.25 0 C-N-CA 122.878 2.385 . . . . 0.0 112.253 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.55 74.61 2.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.123 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 37.3 ttm -75.74 121.26 22.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.273 0.558 . . . . 0.0 110.959 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.418 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 42.0 p -114.54 -173.84 2.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.059 -178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.8 t80 -56.01 -42.72 76.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.122 174.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -68.78 -41.42 78.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.709 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.418 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -62.15 -44.11 97.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.83 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.55 -38.73 91.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -60.21 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.245 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -62.29 -50.55 71.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.253 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -63.51 -34.32 77.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.919 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -60.82 -42.7 99.63 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.486 173.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.25 -35.78 78.2 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.887 0.375 . . . . 0.0 110.554 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.385 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.491 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 45.7 m -60.09 -36.49 77.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.767 178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 630' ' ' GLY . 94.5 t -63.71 -45.07 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.82 0.343 . . . . 0.0 110.794 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -71.75 -27.8 63.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.023 0.439 . . . . 0.0 110.828 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.98 -6.81 58.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.287 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.7 mttt 66.97 23.98 9.7 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.16 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -107.2 70.94 0.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.415 ' HB3' ' HA ' ' A' ' 666' ' ' CYS . 40.3 m-85 -73.1 -26.43 61.24 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.181 -169.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -65.77 -30.01 70.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -81.85 -34.09 30.32 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -58.05 -38.95 77.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.358 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.0 mt -52.52 -48.46 66.02 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.517 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.3 m -59.42 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.989 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -58.11 -51.3 70.27 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.3 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.94 -31.59 72.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.485 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 53.1 m -71.14 -28.56 64.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.249 -0.282 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -70.23 -31.09 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.038 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.526 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.9 m -62.44 -36.12 81.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.11 174.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 89.4 mt -72.62 -10.84 60.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.396 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -82.24 -27.61 32.36 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.201 0.524 . . . . 0.0 109.816 172.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.7 mt -92.46 -50.75 12.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.143 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -149.72 124.29 9.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -111.21 18.82 18.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.318 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -101.68 11.82 38.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.058 0.456 . . . . 0.0 110.734 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . 0.504 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.0 tp10 -104.25 98.48 8.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.492 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 1.4 p -62.38 -21.23 65.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.895 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.77 79.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.924 0.392 . . . . 0.0 110.898 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.504 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.5 mm -66.05 -48.57 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.89 177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 72.6 m-85 -64.06 -47.22 81.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.653 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.3 p -61.83 -38.62 88.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.695 0.283 . . . . 0.0 111.484 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -80.13 -29.97 38.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.55 0.214 . . . . 0.0 111.082 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.6 ttp180 -68.56 -39.1 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.4 -40.92 92.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.65 175.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.537 ' O ' ' HG2' ' A' ' 669' ' ' LYS . 54.3 tp -58.83 -43.68 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.272 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.415 ' HA ' ' HB3' ' A' ' 639' ' ' TYR . 63.1 m -62.3 -38.53 89.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.623 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 14.8 m-85 -63.98 -42.85 97.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 175.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.0 mt -57.94 -35.56 71.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.14 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 665' ' ' LEU . 31.2 mmmt -76.75 -19.59 57.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 -178.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 95.6 mt -99.66 12.67 35.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.83 0.347 . . . . 0.0 110.412 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.4 m 63.69 21.05 12.53 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.651 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . 0.415 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 50.6 mt-30 -94.01 72.89 4.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.314 0.578 . . . . 0.0 109.701 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.448 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 45.2 m-85 -71.57 -39.66 70.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.216 -174.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -62.65 -37.84 87.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.113 0.482 . . . . 0.0 109.938 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.11 -47.41 65.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.211 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.49 -38.83 81.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.642 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.499 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -56.66 -44.66 81.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.161 0.505 . . . . 0.0 110.655 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -71.19 -40.07 71.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.999 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -62.17 -40.42 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.692 176.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 71.5 m -63.4 -36.44 83.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.813 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.488 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.2 t70 -66.76 -42.42 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.112 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.3 mm100 -59.12 -35.37 73.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.757 175.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -68.0 -40.75 82.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.894 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 52.3 mt -70.72 -29.21 65.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 80.0 mt-30 -61.74 -30.78 71.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.947 0.403 . . . . 0.0 110.336 174.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 41.9 mt -86.92 -45.9 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.287 178.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.71 103.45 7.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.954 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -79.22 90.93 4.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.205 0.526 . . . . 0.0 109.78 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 139.41 12.16 0.72 Allowed Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.773 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -78.4 106.28 10.23 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 717' ' ' VAL . 63.8 t -59.7 -36.45 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.432 -176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.62 -37.91 79.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.97 -40.56 71.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.986 -177.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -67.3 -50.85 58.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.053 0.454 . . . . 0.0 110.466 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.587 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 88.0 t80 -59.1 -45.87 89.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.261 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -77.26 -22.95 51.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.348 -176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -72.17 -39.83 68.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 172.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.54 -39.08 82.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.512 175.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 68.4 mt -63.53 -43.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.826 175.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -61.25 -50.19 74.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.903 178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.499 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 42.0 m-70 -59.64 -42.23 92.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -57.94 -43.34 86.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.918 0.389 . . . . 0.0 110.262 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.83 74.36 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.517 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.6 mt -98.12 9.24 43.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.934 0.397 . . . . 0.0 110.047 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 66.21 23.11 10.92 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.212 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.58 78.5 3.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -79.68 -35.78 38.64 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.335 -170.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.471 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.8 tp-100 -65.08 -42.06 94.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 177.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.73 -45.42 89.98 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.173 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 32.0 t -61.94 -41.47 98.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.078 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 51.7 mt -59.94 -33.47 71.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.291 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 708' ' ' GLN . 77.9 mt -62.67 -39.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.46 ' O ' HG23 ' A' ' 717' ' ' VAL . 44.1 m-20 -78.85 -35.49 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.704 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 89.2 mt -66.59 -49.15 67.27 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.677 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 31.8 m-80 -57.89 -38.45 75.82 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.712 176.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -61.3 -40.67 95.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.493 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.611 HG13 HG13 ' A' ' 691' ' ' VAL . 72.8 t -61.63 -40.81 87.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.666 175.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.0 mm -63.82 -31.17 52.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.677 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 44.2 mt -74.89 -39.89 61.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.112 0.482 . . . . 0.0 110.551 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 91.4 mt -78.66 -47.96 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.222 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -141.93 86.44 10.48 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.637 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -77.15 10.04 2.55 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.757 2.304 . . . . 0.0 112.307 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 41.2 t -94.41 -6.53 43.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.723 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.9 mt -82.19 105.02 11.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.341 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.4 mm -64.35 -36.92 78.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.602 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 10.0 mm-40 -56.95 -41.36 78.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.669 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.39 -32.31 71.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.077 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -67.85 -25.57 65.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.224 0.535 . . . . 0.0 110.316 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.2 mmt -85.64 -24.0 27.27 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.394 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 13.1 mm-40 -79.73 -49.13 12.51 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.808 -175.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.496 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -68.07 -21.83 64.96 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.916 -175.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 7.6 pt-20 -77.64 -34.51 53.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -75.1 -50.03 17.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.897 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.519 ' HA ' HD12 ' A' ' 737' ' ' LEU . 98.6 t -62.19 -31.28 50.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.376 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 63.5 m -66.47 -32.66 74.17 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.848 177.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.552 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 20.9 mtm180 -74.11 -38.32 63.87 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 734' ' ' VAL . 73.2 mt -61.3 -43.63 98.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.794 -1.093 . . . . 0.0 110.258 174.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.04 -31.52 72.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.979 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.39 -8.77 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.959 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 67.0 mt -93.61 164.0 13.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.114 175.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -102.02 -6.3 23.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.544 0.688 . . . . 0.0 109.54 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.244 0.814 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.698 177.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -85.48 145.46 9.35 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.758 2.305 . . . . 0.0 112.786 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 46.2 t60 55.33 71.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.876 177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 61.5 mtp -119.36 131.87 55.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.47 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 43.5 p -88.13 176.23 7.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.477 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 82.3 t80 -54.72 -42.9 72.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.071 0.462 . . . . 0.0 110.8 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.79 -40.44 95.2 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.386 -177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -76.07 -40.93 52.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.969 -177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.36 -35.18 80.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.737 0.303 . . . . 0.0 110.474 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -60.94 -51.59 68.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.39 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -68.53 -28.72 67.24 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.793 -175.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -57.74 -55.97 27.92 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 172.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -57.88 -41.25 94.07 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.976 179.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -56.86 -45.48 82.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.855 0.36 . . . . 0.0 110.768 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -64.07 -42.34 97.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.907 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -64.29 -36.5 84.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.427 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 630' ' ' GLY . 82.5 t -62.77 -45.43 98.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.079 0.466 . . . . 0.0 110.709 177.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -77.87 -11.87 59.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.811 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -90.96 -7.5 51.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.122 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.0 mttp 67.46 27.26 8.06 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.767 -175.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -111.8 68.97 0.68 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.452 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -71.25 -28.94 64.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.7 -169.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -61.36 -37.32 82.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.155 0.502 . . . . 0.0 110.571 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 19.6 t70 -79.15 -32.86 44.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.698 178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.02 -45.0 91.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.794 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.1 mt -56.44 -43.27 79.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.297 174.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 20.2 m -62.93 -32.66 74.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.151 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 32.4 mmtp -85.88 -45.92 11.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.223 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.76 -36.63 84.5 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -66.22 -30.89 71.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 651' ' ' LYS . 63.0 mm-40 -74.07 -28.36 61.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.178 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.9 m -61.05 -48.45 81.7 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.057 0.456 . . . . 0.0 110.202 174.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 653' ' ' ASN . 90.6 mt -60.86 -32.82 72.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.308 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 6.5 mtpm? -62.88 -25.03 68.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.31 0.576 . . . . 0.0 110.441 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.4 mt -89.35 -52.61 10.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.895 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 650' ' ' LEU . 41.3 t30 -135.44 119.15 17.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.615 -176.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.07 4.13 41.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.568 -178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.44 14.22 30.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.429 -177.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . 0.434 ' HG3' HG12 ' A' ' 659' ' ' ILE . 8.9 tp10 -105.43 102.59 12.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.18 0.514 . . . . 0.0 110.674 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 16.9 p -63.64 -27.91 69.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.877 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.34 -31.07 71.65 Favored 'General case' 0 N--CA 1.461 0.083 0 CA-C-O 120.772 0.32 . . . . 0.0 111.374 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.434 HG12 ' HG3' ' A' ' 656' ' ' GLU . 49.8 mm -69.2 -44.71 80.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.387 . . . . 0.0 110.09 179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 69.1 m-85 -63.39 -45.6 90.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.424 -178.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 2.0 p -61.99 -34.14 75.62 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.937 0.399 . . . . 0.0 111.099 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -75.25 -40.36 58.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.017 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 19.9 mtm180 -62.49 -41.85 99.09 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -54.99 -46.67 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.81 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.4 tp -60.04 -40.93 91.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.5 m -65.19 -48.9 71.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.642 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -56.42 -36.16 68.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.308 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.9 mt -60.52 -31.07 70.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.248 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 74.9 mmtt -84.59 -23.33 29.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.136 -177.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.61 6.68 47.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.587 0.232 . . . . 0.0 110.518 173.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 63.0 m 64.89 24.66 12.75 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.707 178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -96.54 62.86 2.04 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.27 -36.11 83.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.109 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.36 -38.5 87.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.397 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -72.69 -39.43 67.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.478 177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.62 96.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.024 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.505 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 28.9 ttmt -53.95 -43.56 69.95 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.584 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -68.04 -45.42 73.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.236 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -60.27 -42.31 95.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.186 179.738 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 63.8 m -60.8 -36.76 79.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.848 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 30.0 t70 -70.97 -41.84 70.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.4 mm100 -57.25 -38.17 73.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.328 175.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.6 -38.52 87.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.843 177.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 65.7 mt -71.48 -31.66 67.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.373 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.0 mt-30 -62.47 -35.11 78.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.016 0.436 . . . . 0.0 110.387 176.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.4 mt -85.51 -39.5 17.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.724 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -123.43 104.5 9.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.116 0.484 . . . . 0.0 111.331 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -78.51 93.5 4.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.314 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 121.9 23.74 2.43 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.959 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -80.83 100.46 8.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.627 HG13 HG13 ' A' ' 717' ' ' VAL . 98.8 t -54.16 -40.04 45.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.396 -176.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -59.37 -35.83 74.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.871 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.04 -41.8 67.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.159 -177.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -64.15 -47.84 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.079 0.466 . . . . 0.0 110.347 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.574 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.9 t80 -60.58 -41.62 95.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.063 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 21.6 mmt85 -68.74 -35.99 77.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.868 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -67.19 -39.58 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.825 0.345 . . . . 0.0 110.103 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -60.32 -40.8 91.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.862 176.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.3 mt -65.96 -36.33 83.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.048 0.451 . . . . 0.0 110.247 177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -65.88 -52.05 53.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.505 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 55.7 m-70 -60.44 -37.27 80.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.99 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -57.44 -44.93 85.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.36 178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.72 -23.51 77.75 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.757 -179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 59.4 mt -91.95 8.17 38.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.674 0.273 . . . . 0.0 110.789 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt 61.64 29.25 18.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.101 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -100.95 63.18 1.01 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -72.0 -28.37 63.36 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.852 -171.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.413 HE21 HD21 ' A' ' 738' ' ' LEU . 6.9 tp-100 -65.99 -33.28 75.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.319 0.581 . . . . 0.0 109.603 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -79.6 -42.28 25.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.504 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -61.61 -40.93 96.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.178 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 47.5 mt -58.81 -31.24 68.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.35 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.77 -45.17 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 0.0 110.182 178.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.445 ' O ' HG23 ' A' ' 717' ' ' VAL . 35.7 m-20 -77.77 -34.67 52.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.686 -176.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.602 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.6 mt -66.03 -47.68 73.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.335 178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.637 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.7 m-80 -60.83 -36.76 79.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.481 174.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 26.3 tptt -60.68 -44.89 95.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.612 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.627 HG13 HG13 ' A' ' 691' ' ' VAL . 70.0 t -60.45 -36.75 71.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.915 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.602 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.5 mm -66.27 -30.89 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.189 0.519 . . . . 0.0 110.616 179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 54.8 mt -75.41 -32.31 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.076 0.465 . . . . 0.0 110.745 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 67.2 mt -85.16 -49.47 8.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.343 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . 0.429 ' OD2' HG21 ' A' ' 691' ' ' VAL . 3.4 m-20 -137.5 86.71 18.71 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.693 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -75.44 5.82 3.97 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.741 2.294 . . . . 0.0 112.43 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.8 p -96.07 5.81 50.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.159 0.504 . . . . 0.0 110.829 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.518 HG22 ' H ' ' A' ' 727' ' ' ALA . 20.9 mt -93.46 100.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.309 -178.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.6 mm -60.95 -38.25 78.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.492 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -52.69 -46.2 67.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.518 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -74.09 -27.58 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.054 -177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 27.2 mtpp -78.14 -21.27 50.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.279 0.561 . . . . 0.0 110.194 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . 0.612 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.4 mmt -87.06 -35.58 18.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.362 173.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.89 -51.47 58.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.898 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.906 -174.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.612 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -77.29 -28.41 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.016 0.436 . . . . 0.0 109.994 -179.571 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.454 ' HA ' ' NH2' ' A' ' 736' ' ' ARG . 36.1 tt0 -78.15 -47.11 18.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.85 176.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 737' ' ' LEU . 78.3 t -60.53 -32.67 51.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.374 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.8 m -62.59 -38.72 91.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.703 0.287 . . . . 0.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.612 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 44.4 mtm105 -75.66 -38.1 59.07 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 734' ' ' VAL . 84.0 mt -59.32 -42.49 91.54 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.475 174.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . 0.413 HD21 HE21 ' A' ' 708' ' ' GLN . 63.9 tp -66.15 -27.92 68.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.876 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -89.09 -4.18 58.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.672 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 57.8 mt -80.72 160.51 24.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.165 0.507 . . . . 0.0 110.95 178.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -108.86 -29.66 8.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.478 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.428 -0.796 . . . . 0.0 110.605 178.602 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.97 113.83 3.38 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.726 2.284 . . . . 0.0 112.141 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 621' ' ' MET . 38.0 m80 -92.34 110.02 21.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.052 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . 0.422 ' HB2' ' O ' ' A' ' 620' ' ' HIS . 83.9 mtp 71.51 121.39 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.891 0.745 . . . . 0.0 110.985 -177.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 48.2 p -88.81 -176.34 5.18 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.789 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.491 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 88.9 t80 -54.22 -40.46 67.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.412 . . . . 0.0 110.388 176.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 27.4 mtpp -61.38 -51.15 69.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.652 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -61.31 -42.44 98.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.299 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.4 HD23 ' HE2' ' A' ' 621' ' ' MET . 69.4 mt -64.34 -39.26 93.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.499 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -66.05 -50.96 62.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.377 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 72.3 mt-10 -59.01 -58.38 8.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.335 -177.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.56 -27.4 68.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.752 0.31 . . . . 0.0 110.752 -178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -61.26 -46.76 93.8 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.287 173.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -63.6 -36.55 84.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.788 0.328 . . . . 0.0 110.456 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -47.87 83.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 75.3 m -61.41 -40.15 93.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.0 t -58.55 -48.9 84.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.341 . . . . 0.0 110.605 176.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 637' ' ' LYS . 32.4 t70 -78.59 -9.03 59.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.661 178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . 0.463 ' HB2' ' NZ ' ' A' ' 637' ' ' LYS . 8.5 mtmp? 70.9 30.81 2.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.292 -175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -107.96 67.82 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.551 -1.204 . . . . 0.0 108.21 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 81.4 m-85 -70.25 -27.18 64.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.72 -173.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -60.42 -45.24 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.762 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -77.96 -32.37 51.39 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.182 0.515 . . . . 0.0 110.22 -178.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.16 -40.95 82.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.509 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.5 mt -53.25 -45.75 68.91 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.648 175.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 10.4 m -57.56 -53.88 53.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.592 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -54.92 -48.6 72.9 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.863 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.401 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.3 m-85 -69.05 -33.99 74.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.667 -176.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 45.5 m -67.01 -34.04 76.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.881 0.372 . . . . 0.0 110.238 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -70.92 -31.46 68.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.491 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 71.9 m -60.42 -46.52 89.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 176.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.29 -35.58 72.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.069 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.41 -21.14 66.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.22 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 26.4 mt -99.6 -39.92 8.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.606 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.443 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 39.9 t30 -149.21 117.67 6.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.534 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -97.74 -0.41 45.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.979 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.493 ' C ' HD13 ' A' ' 686' ' ' LEU . 20.6 tptm -88.43 -11.4 46.12 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-O 121.182 0.515 . . . . 0.0 111.407 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . 0.414 ' CG ' HG12 ' A' ' 659' ' ' ILE . 5.5 tp10 -79.95 94.6 5.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.659 -178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 30.6 p -60.73 -26.62 67.31 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.691 0.281 . . . . 0.0 111.371 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.28 65.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.739 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.414 HG12 ' CG ' ' A' ' 656' ' ' GLU . 49.4 mm -79.8 -44.48 23.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.03 0.443 . . . . 0.0 109.832 175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.473 ' HB2' ' HB2' ' A' ' 683' ' ' ALA . 96.0 m-85 -62.83 -42.98 99.95 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.001 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 19.0 p -61.56 -38.54 87.85 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.282 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -76.39 -35.26 58.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -61.37 -45.33 94.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.52 -48.77 74.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.986 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.44 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 57.0 tp -56.75 -43.25 80.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 177.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 81.8 m -65.26 -46.18 81.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.747 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -59.28 -36.04 74.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.108 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.3 mt -60.16 -31.02 69.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.988 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.98 -30.03 35.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.278 -176.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -94.67 17.79 12.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.84 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.5 m 59.49 35.32 22.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.516 176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -109.06 62.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.314 0.578 . . . . 0.0 109.506 177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -64.65 -36.38 84.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.719 -175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -61.17 -37.4 82.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.365 0.603 . . . . 0.0 110.097 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -74.0 -42.46 60.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.286 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.87 94.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.34 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.467 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.9 ttmt -50.2 -51.34 44.81 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.318 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.676 -175.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -39.28 94.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.711 0.291 . . . . 0.0 111.24 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.456 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 60.4 m -62.21 -42.3 99.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.914 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.1 t70 -64.56 -43.57 93.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.562 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 0.0 OUTLIER -58.38 -38.48 77.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.739 176.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 660' ' ' TYR . . . -64.09 -37.81 88.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.66 176.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 83.4 mt -71.49 -29.23 64.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.245 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 17.9 mm-40 -64.2 -37.62 88.14 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.887 175.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.0 mt -82.71 -40.99 19.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.705 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 104.31 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.473 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.3 89.19 5.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.326 0.584 . . . . 0.0 110.272 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.14 21.35 1.08 Allowed Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.994 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -79.46 103.39 9.34 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.67 HG13 HG13 ' A' ' 717' ' ' VAL . 84.5 t -55.75 -41.04 64.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.476 -176.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.549 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 30.9 mmtp -65.42 -34.66 78.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.747 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.98 -46.45 81.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.22 0.534 . . . . 0.0 110.058 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.583 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 40.6 t80 -62.87 -40.96 99.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.131 -176.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -66.96 -40.28 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.599 0.237 . . . . 0.0 110.741 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.456 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 39.4 ttp180 -67.76 -40.51 84.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 120.704 0.288 . . . . 0.0 110.415 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -57.59 -44.38 85.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.037 175.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 89.0 mt -63.99 -39.15 93.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.992 0.425 . . . . 0.0 110.393 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.32 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.789 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.467 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 68.9 m-70 -58.31 -41.56 84.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -56.06 -43.88 78.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.446 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.35 -29.71 73.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.334 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 63.0 mt -86.57 6.58 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.612 0.244 . . . . 0.0 110.908 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 66.92 20.59 10.5 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.006 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -93.57 66.34 3.82 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -72.5 -31.67 65.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.997 -171.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -67.16 -35.32 79.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.191 0.519 . . . . 0.0 109.814 177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -75.57 -38.65 59.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.386 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.2 t -65.08 -42.1 94.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.161 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.74 -31.3 68.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.321 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 64.9 mt -60.38 -40.54 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.865 0.364 . . . . 0.0 110.578 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -83.68 -32.94 25.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.88 0.372 . . . . 0.0 111.046 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.542 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.63 -48.35 67.0 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.634 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.462 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.0 m-80 -60.1 -29.48 68.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.546 177.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -68.41 -47.54 67.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.844 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.67 HG13 HG13 ' A' ' 691' ' ' VAL . 81.8 t -58.75 -35.87 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.673 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.542 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.5 mm -60.65 -28.7 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.918 178.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 56.4 mt -86.57 -36.55 18.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.977 0.418 . . . . 0.0 110.685 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.9 mt -74.33 -40.92 61.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.97 -178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.77 93.98 3.19 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 121.052 0.453 . . . . 0.0 110.301 176.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.13 8.12 2.99 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.821 2.347 . . . . 0.0 112.586 -178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 1.2 m -90.12 -6.95 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.264 0.554 . . . . 0.0 109.662 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 727' ' ' ALA . 14.2 mt -85.6 98.37 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.308 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.35 -33.79 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.198 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 16.7 mm-40 -55.29 -41.27 72.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.994 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.64 -29.92 63.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.664 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . 0.442 ' HA ' HD12 ' A' ' 731' ' ' LEU . 51.9 mtpt -74.75 -28.31 60.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.911 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.02 -22.64 36.36 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.617 178.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 60.0 mm-40 -79.31 -55.98 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.54 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.42 -26.01 67.78 Favored 'General case' 0 C--N 1.333 -0.118 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.163 -173.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.54 ' N ' HD13 ' A' ' 731' ' ' LEU . 7.8 pt-20 -70.26 -37.09 74.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.201 0.524 . . . . 0.0 109.781 176.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 5.3 tp10 -80.38 -44.37 19.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 737' ' ' LEU . 93.0 t -61.23 -35.96 69.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.199 -178.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 45.8 m -65.76 -32.37 73.87 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.824 0.345 . . . . 0.0 110.502 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 43.6 mtm-85 -79.83 -33.0 40.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.331 0.586 . . . . 0.0 109.489 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.4 mt -66.08 -41.42 90.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.234 173.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.5 tp -65.53 -31.26 72.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.716 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -83.87 -3.78 58.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.126 0.489 . . . . 0.0 111.063 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -89.86 150.23 22.3 Favored 'General case' 0 N--CA 1.433 -1.299 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . 0.482 ' N ' HD12 ' A' ' 740' ' ' LEU . 14.5 mmmm -75.98 -14.56 60.23 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -168.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . 0.459 ' H ' ' CD1' ' A' ' 740' ' ' LEU . 32.0 t70 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.083 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -69.26 -47.98 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.624 2.216 . . . . 0.0 111.795 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -127.97 149.66 50.25 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 94.3 mmm -84.38 75.69 10.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.751 0.786 . . . . 0.0 110.599 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 72.3 p -93.89 -174.53 3.46 Favored 'General case' 0 C--N 1.312 -1.05 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.637 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.596 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 77.5 t80 -54.78 -41.22 70.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.16 0.505 . . . . 0.0 110.547 178.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -66.72 -38.99 87.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.9 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -76.08 -40.69 52.53 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.25 -36.71 82.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.919 0.39 . . . . 0.0 110.309 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -62.35 -51.76 66.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.724 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 625' ' ' ALA . 12.3 pt-20 -68.87 -38.5 79.76 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.263 -175.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -69.87 -35.48 74.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.841 0.353 . . . . 0.0 110.321 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.06 -39.59 97.32 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 173.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -62.11 -36.28 81.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.781 0.324 . . . . 0.0 110.304 175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.9 mm-40 -63.14 -35.8 81.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.79 178.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 57.9 m -63.61 -48.25 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 66.2 t -62.65 -42.0 94.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 120.977 0.417 . . . . 0.0 110.603 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.69 -37.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.791 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -79.98 -6.13 56.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.61 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm 68.68 32.45 4.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.651 -177.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -110.41 81.55 1.45 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.994 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 53.0 m-85 -80.91 -31.55 35.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.466 -168.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -64.41 -29.86 70.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.062 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -82.36 -38.04 24.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.191 176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -55.76 -36.75 67.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.098 179.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.5 mt -52.01 -51.68 55.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.866 177.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 36.0 t -63.94 -40.76 97.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.662 -178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -65.33 -43.78 89.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -177.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -71.53 -28.4 63.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.858 0.361 . . . . 0.0 110.639 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.2 t -67.39 -30.74 70.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.201 0.525 . . . . 0.0 110.048 177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.3 mm-40 -70.89 -28.22 64.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.335 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.1 m -67.78 -46.13 72.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.408 178.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.24 -32.07 69.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.534 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -62.16 -24.43 67.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.842 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 25.8 mt -97.03 -47.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.532 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -142.95 123.07 13.66 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.538 -178.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -105.78 1.63 27.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 -176.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -106.21 24.36 12.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.279 0.561 . . . . 0.0 110.97 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . 0.471 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.9 tp10 -105.08 102.66 12.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.032 177.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 27.3 p -63.17 -24.79 68.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.413 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.42 -34.32 76.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.118 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -69.63 -46.89 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.216 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.671 ' CE1' ' HG2' ' A' ' 682' ' ' GLN . 86.8 m-85 -64.66 -46.37 82.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.642 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.7 p -59.78 -43.77 94.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.747 0.308 . . . . 0.0 111.12 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -74.48 -33.62 62.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.9 ttp180 -65.92 -43.7 87.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -60.9 -40.47 93.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.93 177.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.82 -39.78 78.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.544 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 62.7 m -68.62 -45.78 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.663 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.93 -38.05 72.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.551 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.3 mt -56.28 -40.72 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.975 0.417 . . . . 0.0 110.901 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -71.61 -35.01 70.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.082 -176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -84.49 11.4 8.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.008 -0.277 . . . . 0.0 110.753 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 82.6 m 61.25 31.32 19.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.639 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -106.49 64.16 0.66 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.502 0.667 . . . . 0.0 109.384 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -66.61 -32.77 74.31 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.244 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.03 -40.38 89.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.77 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -76.94 -36.98 56.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.395 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.28 -41.45 96.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -55.75 -48.97 74.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.508 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -67.5 -33.79 75.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.597 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -68.06 -46.87 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.671 0.272 . . . . 0.0 110.766 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 66.0 m -60.7 -39.49 88.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.113 0.483 . . . . 0.0 110.329 177.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.1 t70 -63.91 -43.19 96.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.72 177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.671 ' HG2' ' CE1' ' A' ' 660' ' ' TYR . 5.9 tp-100 -61.99 -47.82 83.09 Favored 'General case' 0 N--CA 1.418 -2.057 0 C-N-CA 123.38 0.672 . . . . 0.0 110.58 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -53.78 -38.91 64.96 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.074 177.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 58.2 mt -74.89 -28.32 60.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.917 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -66.49 -31.47 72.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.174 0.511 . . . . 0.0 109.93 174.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 20.9 mt -87.44 -43.69 11.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.258 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -119.43 103.85 9.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.241 177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -77.88 87.33 4.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.903 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 129.69 26.17 0.88 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.27 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -83.1 105.91 14.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.637 HG13 HG13 ' A' ' 717' ' ' VAL . 88.6 t -56.56 -42.81 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.866 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -61.52 -35.16 76.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.739 0.304 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -69.09 -39.97 78.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.844 -178.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.213 0.53 . . . . 0.0 110.177 177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.411 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.8 t80 -59.21 -43.86 92.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.434 -177.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.77 -25.71 44.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.263 -176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -68.07 -39.84 82.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 171.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.12 -43.97 87.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.757 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 86.3 mt -63.36 -38.89 92.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.161 0.505 . . . . 0.0 110.255 177.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.91 -49.77 71.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.788 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -61.45 -39.25 90.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.659 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -56.07 -45.66 79.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.127 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.27 -21.39 75.79 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.79 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 51.0 mt -96.94 9.61 41.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.05 0.452 . . . . 0.0 110.057 178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 707' ' ' TYR . 29.6 mtpp 62.9 24.0 14.31 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.684 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.95 69.29 3.89 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 705' ' ' LYS . 37.2 m-85 -76.1 -31.8 58.87 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.635 -169.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -64.33 -31.28 72.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.177 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -83.37 -42.97 16.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.734 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -60.43 -41.53 94.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.345 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 33.3 mt -60.17 -31.6 70.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.514 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 69.7 mt -63.59 -44.07 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.899 0.38 . . . . 0.0 110.226 178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 717' ' ' VAL . 46.0 m-20 -74.31 -35.97 63.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.708 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.505 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.7 mt -65.7 -46.84 77.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.534 178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.558 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 21.2 m-80 -61.21 -35.93 78.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 175.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -59.91 -45.15 93.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 0.0 110.635 176.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.637 HG13 HG13 ' A' ' 691' ' ' VAL . 84.3 t -60.33 -36.4 68.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.643 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.6 mm -64.24 -29.15 46.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.195 0.521 . . . . 0.0 110.574 178.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.6 mt -79.77 -38.41 33.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.432 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.2 mt -76.73 -45.96 27.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.137 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -143.83 89.93 7.13 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-O 121.06 0.457 . . . . 0.0 110.129 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.77 8.43 3.09 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.91 2.407 . . . . 0.0 113.155 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -100.07 0.23 40.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.894 0.378 . . . . 0.0 110.21 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.492 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.6 mt -83.88 103.01 10.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.179 0.514 . . . . 0.0 110.446 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 48.7 mm -62.1 -33.8 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.352 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.526 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 31.9 mt-10 -55.08 -49.38 71.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.754 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.492 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.91 -31.19 71.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -69.09 -31.75 70.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.252 0.548 . . . . 0.0 110.281 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.2 mmt -85.83 -27.86 24.82 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.81 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -75.43 -48.36 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.631 -178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.5 OUTLIER -66.06 -30.0 70.44 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.373 -0.531 . . . . 0.0 111.007 -174.287 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.1 pt-20 -68.91 -39.35 79.73 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 7.8 tp10 -69.94 -46.19 65.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.47 -177.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.52 ' HA ' HD12 ' A' ' 737' ' ' LEU . 80.5 t -62.61 -24.43 35.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.746 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 85.3 m -65.61 -36.02 82.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.601 175.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.02 -40.2 63.06 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 734' ' ' VAL . 82.6 mt -59.35 -42.59 91.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.772 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.3 tp -66.21 -40.7 90.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.963 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -69.29 -29.29 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . . . . . . . . . 79.0 mt -81.53 169.76 16.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.257 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -131.79 -7.81 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.671 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.572 178.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.831 0 N-CA-C 111.98 -0.448 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -82.97 109.7 1.74 Allowed 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.644 2.229 . . . . 0.0 112.942 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -85.66 125.36 33.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 83.1 mtp -106.9 129.83 54.67 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.653 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 42.7 p -82.06 175.39 10.38 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.152 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 83.4 t80 -56.17 -44.13 79.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 110.06 178.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -63.03 -37.69 88.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.056 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -69.65 -53.13 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.796 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 37.7 mt -60.26 -38.63 84.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -64.56 -50.43 67.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.035 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -69.34 -34.08 74.08 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.759 0.314 . . . . 0.0 111.021 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.78 -39.66 87.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.811 0.338 . . . . 0.0 110.273 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -60.79 -42.26 99.43 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.815 176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.12 -43.77 87.4 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-O 121.112 0.482 . . . . 0.0 110.02 176.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -63.67 -36.31 83.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.311 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 62.7 m -62.79 -44.77 95.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 0.0 109.972 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.417 HG13 ' CE1' ' A' ' 639' ' ' TYR . 88.4 t -60.43 -46.81 94.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.435 0.636 . . . . 0.0 110.205 175.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.68 -22.56 66.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.109 -0.95 . . . . 0.0 111.541 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -92.51 2.39 56.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.172 0.51 . . . . 0.0 110.326 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . 0.448 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 35.7 mtmm 65.85 25.77 11.21 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.955 -178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -109.5 69.32 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 83.4 m-85 -73.69 -31.91 63.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.083 -170.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.78 -30.61 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.05 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -86.59 -35.12 19.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.431 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.33 -36.37 66.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.689 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -54.73 -44.05 73.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.828 176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 35.5 t -69.44 -42.45 74.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -61.62 -47.0 87.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.43 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -69.73 -29.69 67.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.159 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 44.3 t -61.26 -39.82 91.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.158 0.504 . . . . 0.0 110.31 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -68.9 -31.7 70.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.548 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.489 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.0 m -63.52 -45.39 90.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.251 175.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.81 -37.46 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.207 -179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -62.94 -28.28 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.233 0.54 . . . . 0.0 110.506 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 33.7 mt -86.99 -44.48 16.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.391 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -147.48 122.3 9.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.885 -178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -104.72 11.54 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.707 0.289 . . . . 0.0 110.556 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.473 ' HA ' HD22 ' A' ' 686' ' ' LEU . 35.0 mmtp -104.96 13.01 31.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.467 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.24 105.48 15.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.998 0.427 . . . . 0.0 110.39 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.4 p -66.85 -22.98 65.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.91 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.28 -29.04 70.44 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-O 120.86 0.362 . . . . 0.0 110.996 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.25 -52.76 24.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.947 0.403 . . . . 0.0 110.023 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 80.6 m-85 -57.99 -47.56 82.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.38 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 15.5 p -59.9 -38.69 83.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.427 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.24 -32.89 56.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.167 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -62.93 -42.59 99.85 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.52 -43.48 84.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.824 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.1 tp -59.47 -38.94 82.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.237 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.1 m -67.93 -47.15 69.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.54 177.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.455 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 16.2 m-85 -56.96 -38.68 73.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.473 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.6 mt -57.5 -33.39 67.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.007 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.37 -34.71 54.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -89.24 12.73 15.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.739 -0.21 . . . . 0.0 110.852 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . 0.438 ' HG ' ' HE1' ' A' ' 673' ' ' PHE . 20.5 t 64.63 32.18 11.59 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 121.355 0.598 . . . . 0.0 111.123 176.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . 0.455 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 79.9 mt-30 -107.7 67.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.47 0.653 . . . . 0.0 109.416 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.438 ' HE1' ' HG ' ' A' ' 671' ' ' CYS . 44.5 m-85 -70.56 -37.31 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.031 -173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -62.24 -41.22 98.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.168 0.508 . . . . 0.0 109.944 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.36 -47.24 74.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.195 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -56.33 -42.56 77.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.711 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.534 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -56.36 -46.02 80.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.753 179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -67.67 -37.64 82.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.165 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.458 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.3 OUTLIER -64.94 -43.57 92.28 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.563 177.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 84.2 m -61.39 -40.45 94.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.686 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.67 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 31.0 t70 -62.45 -49.73 74.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.369 178.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.5 mm100 -58.24 -34.06 70.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.967 177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.44 91.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.742 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 69.3 mt -72.63 -30.58 64.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.72 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 11.9 mm-40 -63.75 -31.03 72.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.856 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.6 mt -84.57 -49.95 8.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.995 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -124.24 103.35 8.19 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.231 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.03 87.56 6.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.921 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.0 14.63 0.48 Allowed Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.042 -177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -79.81 108.91 13.74 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.645 HG13 HG13 ' A' ' 717' ' ' VAL . 98.5 t -57.27 -41.98 79.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.731 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -61.51 -33.52 73.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.666 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.69 70.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.75 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -65.44 -51.44 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.083 0.468 . . . . 0.0 110.319 178.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.48 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 71.5 t80 -58.91 -45.62 89.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.597 -0.728 . . . . 0.0 111.515 -175.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -77.43 -24.12 50.41 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.301 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -72.27 -38.49 68.83 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.416 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -60.42 -41.4 93.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.472 174.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -64.46 -35.64 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.374 176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -66.53 -51.78 52.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.554 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.534 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.1 m-70 -57.99 -41.64 83.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.706 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -57.63 -40.25 78.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.888 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -70.45 -27.11 73.12 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.233 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 55.8 mt -89.81 4.1 50.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.773 0.32 . . . . 0.0 110.416 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 10.4 mtmp? 66.62 28.47 9.21 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.023 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.86 73.49 1.99 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -78.78 -33.94 45.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.329 -169.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.5 -35.37 80.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -73.07 -45.83 55.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.929 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 26.5 t -60.73 -40.92 94.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.422 -178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.7 mt -59.15 -30.68 68.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.689 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 63.2 mt -65.2 -43.25 95.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.77 0.319 . . . . 0.0 110.225 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.416 ' HB2' ' HB2' ' A' ' 698' ' ' ALA . 70.0 m-20 -75.06 -36.42 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.536 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.7 mt -64.63 -47.95 76.67 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.382 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.617 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 22.1 m-80 -61.32 -32.25 72.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.099 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -66.33 -44.23 83.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.645 HG13 HG13 ' A' ' 691' ' ' VAL . 79.0 t -57.45 -39.65 69.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.439 177.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.8 mm -62.31 -27.71 43.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.985 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 60.2 mt -81.07 -43.11 19.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.053 0.454 . . . . 0.0 110.694 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.3 mt -76.69 -42.93 39.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.012 -177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -146.32 89.18 5.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.977 0.418 . . . . 0.0 110.038 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.34 3.35 6.36 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.528 2.152 . . . . 0.0 112.596 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 15.2 t -89.12 -9.96 49.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.249 0.547 . . . . 0.0 109.694 -175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.447 HG22 ' H ' ' A' ' 727' ' ' ALA . 14.0 mt -76.44 103.19 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.121 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.5 mm -65.14 -32.06 56.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.294 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 14.1 mm-40 -56.77 -44.75 82.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.205 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.447 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -73.36 -27.8 61.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.926 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -69.85 -26.34 64.17 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.455 0.645 . . . . 0.0 109.997 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . 0.428 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 26.3 mmt -87.09 -33.63 19.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.11 176.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 23.6 mm-40 -69.41 -49.5 54.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -175.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -64.03 -30.1 71.2 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.877 -175.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.605 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 0.0 OUTLIER -74.79 -36.97 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 178.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.567 ' HG3' ' NH2' ' A' ' 736' ' ' ARG . 38.7 tt0 -71.98 -46.36 57.6 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.67 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' ' 737' ' ' LEU . 91.8 t -63.57 -31.57 53.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.847 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.3 m -65.87 -30.05 70.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.63 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 14.1 mtm180 -74.84 -46.02 39.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 734' ' ' VAL . 72.7 mt -54.98 -47.57 74.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.592 177.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.1 tp -62.64 -39.84 95.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.227 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -73.61 -23.89 59.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.534 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 85.7 mt -75.67 -179.56 4.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.596 176.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.76 -48.38 4.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 109.79 178.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.501 177.601 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.65 90.37 0.93 Allowed 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.92 2.414 . . . . 0.0 112.871 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 57.0 45.95 20.25 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.621 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 88.1 mtp -78.56 128.05 32.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.7 p -76.57 166.42 23.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.269 -176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.472 ' CE1' ' HB3' ' A' ' 653' ' ' ASN . 72.8 t80 -52.42 -44.37 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.094 0.473 . . . . 0.0 110.127 178.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 628' ' ' GLU . 98.7 mttt -63.35 -53.05 58.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.171 178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.98 76.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 111.259 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.18 -45.19 85.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.27 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -66.97 -41.46 86.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.022 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 624' ' ' LYS . 10.0 mm-40 -62.38 -50.03 73.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.333 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -67.99 -27.17 66.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.933 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -59.19 -47.64 89.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.557 174.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -62.14 -33.64 74.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.33 -45.03 95.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.634 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.7 m -60.76 -40.58 93.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.253 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 630' ' ' GLY . 90.2 t -63.19 -40.55 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 176.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -69.94 -33.23 71.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.959 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.94 -6.36 50.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.492 0.663 . . . . 0.0 110.302 175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp 65.47 29.9 11.02 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.131 -0.941 . . . . 0.0 110.692 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -101.59 64.15 0.98 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.495 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 61.7 m-85 -68.32 -32.92 73.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.105 -170.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -61.37 -28.73 69.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.177 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -88.14 -37.83 15.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.35 -33.96 60.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.427 176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.6 mt -52.29 -51.31 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.913 174.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 93.8 p -65.18 -39.11 92.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.693 0.282 . . . . 0.0 110.678 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -61.86 -44.65 96.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.894 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 662' ' ' ASN . 33.3 m-85 -74.7 -28.08 60.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.426 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 43.5 m -67.44 -31.63 71.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.047 0.451 . . . . 0.0 110.146 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 644' ' ' SER . 32.4 mm-40 -66.34 -32.96 74.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.009 175.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 81.6 m -67.35 -39.58 85.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.557 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.38 -25.53 68.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.103 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.47 -23.56 63.66 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 35.9 mt -97.23 -45.34 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.81 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.472 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 33.4 t30 -149.23 128.33 12.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.886 -175.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -113.29 10.84 18.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.567 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.471 ' C ' HD13 ' A' ' 686' ' ' LEU . 34.9 mmtp -101.38 9.84 41.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.195 -178.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -105.06 107.38 18.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.0 p -67.38 -23.71 65.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.791 -178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.48 77.46 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.022 0.439 . . . . 0.0 110.945 179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.4 mm -64.7 -47.09 90.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.456 175.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -65.81 -42.26 90.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.963 -175.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.7 p -61.59 -40.86 96.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.002 0.43 . . . . 0.0 110.317 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 646' ' ' TYR . 12.0 m-80 -65.12 -43.84 90.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.001 177.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -56.43 -50.34 71.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.91 -43.6 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.461 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.479 ' HB2' ' NH1' ' A' ' 696' ' ' ARG . 3.3 tm? -57.99 -43.87 86.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.939 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.0 m -65.74 -43.81 87.83 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.959 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -58.79 -37.36 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.602 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -59.77 -32.0 70.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.002 0.43 . . . . 0.0 111.051 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -76.69 -29.66 56.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 -175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -93.52 16.33 13.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.709 0.29 . . . . 0.0 110.621 176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 44.4 t 63.81 21.68 12.76 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.364 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -98.63 68.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 109.952 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -67.39 -37.12 82.64 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.724 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -61.07 -35.83 78.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.246 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.43 ' HA ' HE21 ' A' ' 678' ' ' GLN . 12.4 mm-40 -75.71 -41.98 52.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.256 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.89 89.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.337 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.402 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.0 ttmt -53.99 -44.02 70.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.891 178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . 0.43 HE21 ' HA ' ' A' ' 675' ' ' GLU . 44.5 mt-30 -64.18 -50.83 66.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.414 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -33.52 76.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.467 -177.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.73 -43.08 99.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.689 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 20.3 t70 -66.56 -41.15 89.06 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.556 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.7 mm100 -60.11 -36.57 77.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.634 177.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.9 90.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.551 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.59 -31.93 70.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.209 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.0 mt-30 -61.29 -28.17 69.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 176.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 18.2 mt -92.37 -42.78 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.162 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -128.64 103.31 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.535 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -79.78 90.91 5.27 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.589 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.15 19.14 0.55 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.062 -178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -86.49 106.17 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.811 HG13 HG13 ' A' ' 717' ' ' VAL . 92.3 t -56.36 -40.11 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.692 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -65.51 -31.62 72.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.729 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -74.39 -42.55 59.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -66.52 -50.43 63.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.11 0.481 . . . . 0.0 110.683 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.616 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 75.7 t80 -58.59 -43.27 89.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.384 -175.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.479 ' NH1' ' HB2' ' A' ' 665' ' ' LEU . 97.6 mtt180 -78.26 -26.45 47.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.273 -176.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -69.46 -39.55 77.68 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 173.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -61.1 -43.1 99.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.601 174.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 79.5 mt -61.05 -42.11 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.084 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.5 -52.53 64.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.812 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 58.8 m-70 -57.48 -44.93 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.877 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -55.89 -45.79 78.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.758 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -65.92 -24.02 71.34 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.663 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.8 7.67 44.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.774 0.321 . . . . 0.0 110.661 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt 66.29 26.45 10.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.748 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . 0.425 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 88.1 m-20 -99.58 76.47 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -80.52 -36.05 33.71 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.205 -169.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.613 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.1 OUTLIER -65.39 -35.93 82.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -70.48 -44.84 66.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.86 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.28 -40.31 93.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.082 -178.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.86 -33.71 70.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.442 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.43 -37.33 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.153 0.501 . . . . 0.0 110.548 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.49 ' O ' HG23 ' A' ' 717' ' ' VAL . 65.4 m-20 -83.45 -33.99 25.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.166 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.565 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.1 mt -67.2 -47.69 70.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.548 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.556 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 37.8 m-80 -61.51 -32.68 72.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.476 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.593 ' O ' HD22 ' A' ' 720' ' ' LEU . 0.1 OUTLIER -65.02 -46.9 79.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.741 176.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.811 HG13 HG13 ' A' ' 691' ' ' VAL . 70.0 t -54.96 -39.72 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.773 0.32 . . . . 0.0 110.959 177.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.9 mm -63.59 -23.77 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.479 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.3 mt -76.2 -53.97 7.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.006 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.593 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -60.25 -58.22 9.47 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.455 0.645 . . . . 0.0 111.126 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -127.57 90.87 47.2 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.409 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.41 2.93 5.74 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.018 2.478 . . . . 0.0 113.288 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 21.0 m -103.45 2.08 33.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.765 0.317 . . . . 0.0 111.231 -174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.518 HG22 ' H ' ' A' ' 727' ' ' ALA . 22.9 mt -81.62 106.5 12.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.155 0.502 . . . . 0.0 110.665 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 44.8 mm -64.48 -34.78 71.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.559 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 20.4 mm-40 -55.08 -48.67 73.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.521 178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.518 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.73 -29.86 68.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.983 -178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -71.92 -28.22 63.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 0.0 110.107 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 23.7 mmt -85.03 -21.15 29.54 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.537 177.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 57.7 mm-40 -80.53 -50.16 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.442 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.425 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.7 OUTLIER -65.43 -27.08 68.27 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.819 -175.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.3 pt-20 -73.24 -39.22 65.64 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 176.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.49 ' CD ' HH21 ' A' ' 736' ' ' ARG . 7.4 tp10 -69.7 -48.48 59.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.394 -178.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.505 ' HA ' HD12 ' A' ' 737' ' ' LEU . 95.2 t -61.47 -32.22 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.167 -178.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.5 m -64.02 -35.85 82.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.41 . . . . 0.0 110.468 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.594 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 32.8 mtm180 -79.96 -36.42 36.19 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 734' ' ' VAL . 89.4 mt -59.93 -42.97 95.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.213 174.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 68.3 tp -64.81 -29.99 70.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.524 176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -83.24 -10.27 58.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.716 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 79.9 mt -82.63 169.38 16.32 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.06 0.457 . . . . 0.0 110.737 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -97.0 -33.31 11.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.533 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.315 -179.216 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.25 131.94 36.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.068 2.512 . . . . 0.0 112.165 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -97.05 82.75 3.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.737 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 78.4 mtp 70.34 136.16 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.726 0.641 . . . . 0.0 111.57 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.2 p -75.02 166.83 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.1 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.513 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 88.7 t80 -52.86 -40.87 63.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.977 0.418 . . . . 0.0 110.534 179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -59.35 -50.86 72.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.766 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -64.12 -42.31 96.9 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.012 -177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.33 -40.31 95.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.109 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -60.75 -45.41 94.42 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 48.0 mt-10 -58.6 -47.22 85.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.516 177.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 62.6 mm-40 -56.17 -46.64 79.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -56.28 -48.74 72.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.024 177.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -61.76 -41.96 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.583 0.23 . . . . 0.0 111.233 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.2 mm-40 -62.7 -30.84 71.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.946 0.403 . . . . 0.0 110.556 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 69.3 m -75.66 -48.33 22.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.114 176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 630' ' ' GLY . 87.4 t -54.82 -44.74 73.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -74.56 -12.44 60.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.671 -177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -105.67 10.21 32.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.228 0.537 . . . . 0.0 110.034 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . 0.611 ' HA ' ' CE1' ' A' ' 639' ' ' TYR . 51.0 mtpt 63.24 23.95 14.09 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.03 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 60.1 t30 -100.53 56.84 0.91 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.929 0.871 . . . . 0.0 108.917 178.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.611 ' CE1' ' HA ' ' A' ' 637' ' ' LYS . 83.8 m-85 -67.63 -30.52 70.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.798 -1.092 . . . . 0.0 110.861 -174.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -60.95 -39.49 89.69 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -82.81 -31.64 28.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.034 0.445 . . . . 0.0 110.308 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -55.97 -36.77 68.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.742 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.7 mt -54.3 -46.3 72.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.853 176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 27.4 m -69.67 -36.45 76.04 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.977 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.08 -44.01 77.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.665 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' A' ' 650' ' ' LEU . 29.6 m-85 -71.6 -25.06 62.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 23.1 t -65.35 -33.66 76.48 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.53 -32.56 66.22 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.323 175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 646' ' ' TYR . 67.1 m -59.77 -40.58 88.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.034 0.445 . . . . 0.0 110.006 174.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 646' ' ' TYR . 85.5 mt -72.53 -10.42 59.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.673 -178.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -74.92 -30.89 61.39 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 52.0 mt -99.63 -51.52 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.819 -177.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 46.2 t30 -135.59 126.58 27.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.791 0.329 . . . . 0.0 111.047 -174.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -118.82 12.5 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.587 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.447 ' C ' HD13 ' A' ' 686' ' ' LEU . 26.9 tptp -94.29 -9.67 35.28 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-O 121.085 0.469 . . . . 0.0 110.809 -178.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -92.39 106.45 18.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.101 0.476 . . . . 0.0 111.087 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.2 p -66.77 -20.94 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.655 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -65.3 -30.29 71.14 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.831 0.348 . . . . 0.0 110.721 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 47.5 mm -67.07 -50.46 63.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 65.0 m-85 -63.5 -39.42 94.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.944 -178.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 7.0 p -65.56 -40.7 93.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.737 0.304 . . . . 0.0 111.005 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . 0.441 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 8.5 m-80 -64.98 -39.85 94.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.446 174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -57.78 -51.3 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.756 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.546 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.03 -43.6 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.132 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.422 HD13 ' CZ ' ' A' ' 696' ' ' ARG . 54.6 tp -55.92 -45.57 78.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.543 176.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.25 -47.18 83.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.798 178.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -57.86 -32.87 68.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.925 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -63.93 -31.29 72.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.132 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.459 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.5 mptp? -76.24 -28.7 57.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.939 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -90.18 3.81 52.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.503 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 60.0 m 62.05 24.94 14.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.469 178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -94.4 68.16 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -64.11 -35.6 81.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.205 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.71 -38.6 88.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.26 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -72.35 -46.45 55.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.033 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -57.56 -40.75 79.64 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.528 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.472 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 25.7 ttmt -53.21 -44.73 68.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.038 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -68.1 -44.46 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.216 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 2.1 m-20 -61.42 -34.52 75.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.038 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.57 -41.54 96.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.94 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.89 -40.02 96.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.265 0.555 . . . . 0.0 110.041 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.585 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.8 mm100 -64.05 -33.42 75.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.72 177.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -71.62 -34.67 70.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.417 . . . . 0.0 110.779 177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.5 mt -78.07 -29.65 49.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.898 -176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 682' ' ' GLN . 11.0 pt20 -66.53 -36.88 83.79 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.21 177.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.8 mt -76.15 -42.03 48.03 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.948 -176.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.73 104.08 7.2 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -78.49 80.31 4.88 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.407 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 145.18 26.37 0.1 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.214 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.31 104.79 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.669 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -54.72 -42.9 63.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.665 -176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.643 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 98.9 mttt -64.91 -35.51 81.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 -178.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.42 92.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.613 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -64.67 -47.03 79.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 109.921 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.568 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 59.4 t80 -60.03 -43.41 95.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.249 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.643 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 29.2 mmt180 -64.27 -42.66 96.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.655 0.264 . . . . 0.0 110.586 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 701' ' ' HIS . 43.8 ttp180 -69.33 -37.15 77.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.956 -177.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.32 92.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 82.9 mt -67.48 -40.28 85.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.291 177.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -61.27 -51.38 69.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.814 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.472 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 54.2 m-70 -61.06 -40.17 92.64 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.827 178.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -56.8 -42.09 78.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.89 -20.73 78.97 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.649 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 67.6 mt -96.42 5.83 50.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.801 0.334 . . . . 0.0 110.547 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 62.36 30.87 17.47 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.088 -176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.0 m-20 -101.8 66.8 1.07 Allowed 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 174.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -74.44 -30.95 62.11 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.113 -167.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 712' ' ' ILE . 8.2 tp-100 -63.18 -42.74 99.43 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -64.38 -43.71 93.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.668 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.8 t -61.31 -43.78 98.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.14 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 55.5 mt -58.56 -34.8 71.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.653 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.3 mt -63.34 -36.92 78.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.027 0.442 . . . . 0.0 110.476 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 717' ' ' VAL . 60.9 m-20 -80.46 -36.39 33.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.549 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.3 mt -66.61 -47.84 71.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.598 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.606 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.0 m-80 -61.8 -32.21 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.025 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -66.81 -41.71 87.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.585 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.669 HG13 HG13 ' A' ' 691' ' ' VAL . 72.3 t -60.03 -37.48 72.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.549 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.9 mm -66.11 -27.67 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.872 178.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.0 mt -73.63 -40.05 64.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.223 0.535 . . . . 0.0 110.321 178.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 77.5 mt -79.62 -47.49 15.36 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.655 -177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -143.24 93.44 6.48 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 0.0 110.473 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.55 9.97 2.7 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 123.066 2.51 . . . . 0.0 112.592 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.0 m -93.49 -15.24 25.75 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.442 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.504 HG22 ' H ' ' A' ' 727' ' ' ALA . 15.8 mt -73.9 104.0 2.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.76 -176.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.55 -34.02 62.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.423 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 37.0 mt-10 -54.87 -46.16 74.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.466 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.504 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.01 -29.42 64.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.005 -177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -71.36 -30.22 65.9 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.395 0.617 . . . . 0.0 109.927 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -84.29 -22.63 30.64 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.802 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 14.2 mm-40 -82.38 -48.72 10.8 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.586 -178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.1 -24.73 66.75 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.776 -175.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 9.0 pt-20 -74.43 -39.2 62.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.058 0.456 . . . . 0.0 109.825 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 6.4 tp10 -75.91 -44.47 40.13 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.374 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.56 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.0 t -61.57 -32.51 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.241 -178.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 90.9 m -65.1 -35.06 79.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.931 0.396 . . . . 0.0 110.511 174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.449 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 50.4 mtm-85 -77.98 -38.82 44.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.369 0.604 . . . . 0.0 109.517 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 734' ' ' VAL . 70.5 mt -61.5 -39.58 91.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.784 175.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.8 tp -63.91 -35.39 80.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.706 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -75.95 -17.96 59.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.598 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 59.4 mt -69.68 160.63 31.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.129 0.49 . . . . 0.0 110.971 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -99.87 -6.88 26.05 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.124 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.696 -0.668 . . . . 0.0 110.246 175.413 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.78 149.36 66.67 Favored 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 122.6 2.2 . . . . 0.0 112.378 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -77.16 92.66 3.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.786 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 80.7 mtp -116.2 123.97 49.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.947 0.403 . . . . 0.0 110.843 -177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.6 p -89.02 179.29 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.716 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.4 t80 -55.18 -42.88 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.147 0.499 . . . . 0.0 109.97 176.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -62.6 -49.89 73.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.732 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.1 89.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.026 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 51.4 mt -60.67 -37.83 82.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -64.07 -51.44 64.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.083 0.468 . . . . 0.0 110.36 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -61.14 -52.09 66.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.712 -0.677 . . . . 0.0 111.182 -177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -65.35 -34.91 79.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -59.43 -41.08 96.89 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.89 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -63.67 -34.06 77.01 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 110.593 176.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -65.81 -38.48 89.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.318 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 59.4 m -61.12 -39.58 90.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.457 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.43 -49.67 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.453 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.83 -33.68 76.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.762 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -77.33 0.02 23.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.709 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp 65.81 20.78 11.47 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.849 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -103.56 61.5 0.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.457 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 78.9 m-85 -64.55 -31.01 72.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.61 -1.177 . . . . 0.0 111.066 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -62.91 -28.42 70.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.3 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -85.87 -36.67 19.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.053 0.454 . . . . 0.0 109.896 177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.02 -40.07 75.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.685 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 96.3 mt -54.42 -47.96 72.19 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.63 176.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.6 m -66.45 -40.06 89.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.057 -178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -66.16 -45.5 80.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.675 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -69.46 -26.73 64.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 t -64.48 -37.76 88.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.986 0.422 . . . . 0.0 109.919 177.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.501 ' HA ' ' HE2' ' A' ' 651' ' ' LYS . 34.5 mm-40 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.037 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.42 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 65.4 m -57.7 -47.06 83.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.575 177.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -57.69 -40.6 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.426 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.501 ' HE2' ' HA ' ' A' ' 648' ' ' GLU . 52.4 mtmt -64.22 -22.44 66.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.272 0.558 . . . . 0.0 110.73 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.9 mt -90.28 -42.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.208 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -155.54 119.74 4.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.892 -178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -101.45 8.66 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.828 176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -98.61 10.51 40.88 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.712 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -105.23 108.17 19.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.804 0.335 . . . . 0.0 110.614 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 24.5 p -64.51 -23.42 67.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.705 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -61.32 -32.02 71.89 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.042 0.448 . . . . 0.0 111.181 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.577 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 46.7 mm -72.2 -47.22 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -64.31 -46.63 82.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.701 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 17.2 p -61.1 -43.11 99.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.67 0.271 . . . . 0.0 111.543 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -77.79 -30.07 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.846 -179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.577 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.7 ttp180 -69.45 -40.97 76.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.522 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.23 -39.6 90.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.538 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 61.3 tp -59.64 -36.66 76.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.214 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 74.5 m -71.37 -43.65 66.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.521 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -57.12 -35.52 69.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.606 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.7 mt -58.08 -31.61 67.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.177 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -80.83 -35.21 33.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.886 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.16 8.51 15.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 0.0 110.484 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 67.15 19.96 10.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.861 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -93.22 65.32 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.274 0.559 . . . . 0.0 109.505 176.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.452 ' HB2' HD21 ' A' ' 704' ' ' LEU . 44.5 m-85 -66.68 -36.42 82.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.635 -174.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.25 -39.92 88.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.048 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -70.57 -44.04 68.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.89 -39.31 81.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.095 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.45 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.8 ttmt -56.1 -48.07 76.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.64 177.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -67.38 -39.25 85.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.259 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -42.74 96.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.5 m -63.42 -37.01 85.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.722 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.497 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 32.7 t70 -64.88 -41.6 95.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.346 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -60.51 -43.29 97.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 175.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -61.91 -35.87 79.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.966 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 53.7 mt -72.63 -27.19 61.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 25.6 mt-30 -70.05 -34.53 73.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.061 0.457 . . . . 0.0 109.955 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.3 mt -80.58 -40.73 25.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.71 103.88 8.06 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.395 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -79.97 88.75 5.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.341 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.17 21.86 0.94 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.6 -0.727 . . . . 0.0 112.155 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -80.17 105.71 11.64 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.667 HG13 HG13 ' A' ' 717' ' ' VAL . 96.4 t -57.34 -42.46 80.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.414 -177.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -62.9 -33.66 75.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.81 -40.47 72.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.677 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -66.82 -49.07 66.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 110.069 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.639 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 73.1 t80 -58.94 -47.65 84.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.381 -176.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.57 -25.09 59.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.318 -176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -72.48 -40.21 67.12 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -58.37 -41.37 84.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.647 173.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 64.1 mt -61.86 -39.46 91.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.018 176.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 673' ' ' PHE . . . -64.14 -52.01 61.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.941 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.45 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 74.3 m-70 -57.17 -39.22 74.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -58.12 -38.61 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.668 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -79.23 -14.45 81.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.46 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' ' 673' ' ' PHE . 53.2 mt -100.69 10.03 41.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.744 0.307 . . . . 0.0 110.569 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt 63.07 26.14 15.27 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.218 -178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 90.2 m-20 -101.77 71.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 175.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -76.09 -34.82 59.53 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.998 -170.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.658 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -67.83 -38.2 82.89 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.067 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 706' ' ' ASN . 45.3 mmtm -64.11 -44.81 91.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.73 176.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.7 t -64.31 -41.97 96.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.243 -178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 37.6 mt -58.85 -34.68 71.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.458 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 708' ' ' GLN . 69.6 mt -61.74 -42.37 94.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.682 0.277 . . . . 0.0 110.402 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.425 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.0 m-20 -77.31 -34.49 55.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.123 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.599 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.7 mt -66.8 -47.85 70.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.542 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.698 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 29.3 m-80 -62.15 -34.25 76.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.477 175.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -60.19 -44.47 95.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.096 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.667 HG13 HG13 ' A' ' 691' ' ' VAL . 70.4 t -61.82 -39.74 84.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.726 175.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.599 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -65.47 -28.27 43.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.1 0.476 . . . . 0.0 110.518 179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 69.2 mt -74.19 -43.17 58.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.095 0.474 . . . . 0.0 110.499 176.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.1 mt -74.29 -43.76 55.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.896 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -146.35 93.74 4.96 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 121.224 0.535 . . . . 0.0 110.534 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.64 9.02 3.38 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.893 2.395 . . . . 0.0 112.528 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 19.2 t -97.7 -3.38 39.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.149 0.499 . . . . 0.0 109.804 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 727' ' ' ALA . 26.7 mt -82.56 106.16 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.316 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.33 -31.02 49.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.338 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.49 -46.36 83.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.419 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.589 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.51 -27.37 66.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.875 -179.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -71.63 -28.73 63.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.322 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.1 mmt -86.19 -24.39 26.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.703 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -76.46 -50.97 12.71 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.507 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 714' ' ' LEU . 1.0 OUTLIER -68.33 -27.35 66.2 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.207 -173.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 8.5 pt-20 -70.21 -36.77 74.8 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 732' ' ' GLU . 44.0 tt0 -71.42 -47.35 56.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.31 -179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.495 ' HA ' HD12 ' A' ' 737' ' ' LEU . 90.5 t -61.01 -33.98 58.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.779 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 95.8 m -65.31 -32.8 74.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 30.2 mtm180 -75.05 -34.88 61.89 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 -179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 734' ' ' VAL . 54.1 mt -69.42 -42.57 74.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.474 176.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 66.4 tp -63.77 -30.87 71.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.904 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -80.59 -3.43 50.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.242 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.27 171.94 8.51 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -75.05 -64.61 1.01 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.953 0.406 . . . . 0.0 110.776 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.665 -0.683 . . . . 0.0 110.083 -175.64 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.76 81.45 1.07 Allowed 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.065 2.51 . . . . 0.0 112.063 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -100.15 -27.19 13.66 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.297 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.36 96.86 1.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.991 178.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.473 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 59.9 p -125.15 -173.72 2.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.051 -175.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 88.2 t80 -55.25 -42.31 73.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.29 0.567 . . . . 0.0 110.083 176.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -66.89 -40.03 87.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.906 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.473 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -69.38 -32.99 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.196 0.522 . . . . 0.0 110.934 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 54.4 mt -71.48 -40.76 70.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.574 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -64.39 -46.18 84.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.702 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.7 pt-20 -62.96 -43.73 97.99 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.032 -177.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -69.92 -30.55 67.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.855 0.359 . . . . 0.0 110.352 179.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.32 -42.65 99.71 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -60.63 -42.28 96.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.025 0.441 . . . . 0.0 109.986 176.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.666 ' HA ' HE21 ' A' ' 632' ' ' GLN . 0.0 OUTLIER -63.55 -40.01 95.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.565 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 76.0 m -63.49 -45.06 92.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.104 0.253 . . . . 0.0 110.654 177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 89.2 t -63.08 -41.17 91.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.95 0.405 . . . . 0.0 110.427 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -62.34 -39.82 94.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.93 175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -73.86 -8.78 57.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.197 0.522 . . . . 0.0 110.565 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . 0.408 ' HB2' ' NZ ' ' A' ' 637' ' ' LYS . 8.7 mtmp? 70.26 20.31 6.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.846 -176.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.58 77.12 2.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.55 0.691 . . . . 0.0 109.203 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.549 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 62.0 m-85 -70.66 -25.12 62.86 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.913 -173.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . 0.413 ' HA ' HD11 ' A' ' 670' ' ' LEU . 44.3 mtmt -56.65 -53.04 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.931 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -82.65 -19.64 37.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.04 -175.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.54 -38.5 81.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 172.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 86.9 mt -57.62 -41.96 82.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.592 175.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 7.0 m -64.67 -49.41 71.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.775 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -57.26 -47.71 80.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.598 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.447 ' O ' ' HB2' ' A' ' 649' ' ' CYS . 26.2 m-85 -72.89 -24.95 60.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.164 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 47.4 t -68.34 -44.14 75.97 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.13 -25.18 66.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 83.1 m -63.83 -43.54 95.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.246 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.52 -28.99 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.087 -178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -61.98 -27.24 68.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.275 0.56 . . . . 0.0 110.508 177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.6 mt -98.33 -51.55 10.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.763 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -138.72 115.28 10.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.264 -174.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -103.01 12.66 35.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.057 178.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.415 ' HA ' HD22 ' A' ' 686' ' ' LEU . 31.2 mmmt -103.17 11.52 36.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.762 -178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -105.26 95.96 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.635 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.3 p -62.21 -26.7 68.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.693 -0.231 . . . . 0.0 111.343 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -57.68 -38.49 75.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.001 178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 48.5 mm -61.96 -46.81 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.162 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -63.51 -43.34 97.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.273 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.4 p -65.94 -28.25 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.789 0.328 . . . . 0.0 111.346 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -79.07 -39.9 32.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.545 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -63.26 -44.31 95.51 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.23 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.662 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -55.33 -42.5 73.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.3 -45.88 92.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.987 0.422 . . . . 0.0 109.88 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.6 m -63.61 -38.03 89.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.768 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 19.1 m-85 -64.95 -39.81 94.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 177.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 92.2 mt -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 110.573 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -73.24 -33.18 65.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.851 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' ' 640' ' ' LYS . 81.8 mt -100.1 28.14 5.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.992 -178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 28.3 p 47.37 34.85 3.51 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.082 0.953 . . . . 0.0 112.976 177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 49.2 mt-30 -107.53 65.42 0.65 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.311 0.577 . . . . 0.0 109.729 176.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -68.48 -37.2 79.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.607 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.33 -37.63 83.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.968 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.23 -42.25 72.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.971 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.82 98.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.995 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -54.34 -44.25 71.95 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -61.09 -44.99 96.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.35 -178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.05 -38.85 82.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.41 -179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 68.4 m -61.28 -40.42 94.05 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.373 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.8 t70 -66.38 -40.93 90.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.301 179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.567 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 17.1 mm100 -62.14 -37.62 85.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 177.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -63.08 -39.76 95.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.702 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.86 -31.05 67.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.437 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.8 mt-30 -63.76 -29.81 70.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.96 0.41 . . . . 0.0 110.296 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 21.7 mt -88.88 -47.07 8.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.233 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -117.86 103.8 10.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.439 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -79.59 92.73 5.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.011 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 123.57 19.37 2.82 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.175 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.6 t-20 -76.93 106.35 8.56 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 717' ' ' VAL . 78.2 t -56.49 -37.63 52.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.297 -177.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 62.8 mttm -65.67 -37.21 85.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.596 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.72 84.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.694 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -65.89 -47.55 74.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.233 0.539 . . . . 0.0 110.026 177.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.581 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.2 t80 -59.07 -42.54 90.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.981 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.2 mmt180 -64.98 -44.34 89.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 44.2 ttp180 -67.02 -36.95 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.929 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.19 -44.28 95.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.321 . . . . 0.0 110.658 175.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.1 mt -66.04 -37.49 85.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.103 0.478 . . . . 0.0 110.256 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.01 -52.28 63.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.677 177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -61.21 -35.71 77.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.813 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -57.89 -43.32 86.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.344 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -74.94 -21.6 78.19 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.246 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 88.8 mt -90.68 8.42 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.671 0.272 . . . . 0.0 110.725 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp 62.68 22.27 13.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.941 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.22 67.28 1.57 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -74.25 -29.27 61.6 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.154 -170.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.91 -32.45 73.71 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.34 0.59 . . . . 0.0 109.511 175.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -78.26 -40.25 37.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.477 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.0 t -64.05 -41.34 97.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.219 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.13 -32.94 68.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.331 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.7 mt -60.73 -40.03 83.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.918 0.39 . . . . 0.0 110.309 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.5 m-20 -83.4 -34.7 25.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 -178.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.9 mt -65.69 -48.07 73.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.369 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.66 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 33.3 m-80 -59.73 -39.1 83.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.389 175.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 12.1 tptm -60.83 -43.58 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.395 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.672 HG13 HG13 ' A' ' 691' ' ' VAL . 70.7 t -61.46 -39.89 84.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 175.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 714' ' ' LEU . 44.3 mm -64.35 -36.34 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.012 0.434 . . . . 0.0 110.34 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 68.9 mt -69.31 -38.61 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.014 0.435 . . . . 0.0 110.693 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 83.6 mt -78.91 -44.29 22.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.067 -178.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -144.41 89.29 6.95 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-O 120.949 0.404 . . . . 0.0 109.982 -178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -77.74 7.14 4.04 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.905 2.403 . . . . 0.0 113.044 -176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 25.6 m -97.56 -3.86 38.87 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.188 0.518 . . . . 0.0 110.162 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.515 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.4 mt -80.26 95.73 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.816 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 51.0 mm -63.06 -34.61 67.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.348 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 62.8 mm-40 -54.09 -44.0 70.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.627 178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.515 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -76.05 -28.38 57.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 724' ' ' ILE . 30.3 mtpp -74.9 -24.22 58.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.219 0.533 . . . . 0.0 110.168 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.0 mmt -86.33 -19.78 29.3 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.576 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 20.0 mm-40 -80.49 -51.69 8.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.783 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -63.74 -26.85 68.83 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.372 -0.531 . . . . 0.0 111.059 -174.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 731' ' ' LEU . 6.9 pt-20 -73.46 -34.76 65.53 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.449 ' CD ' HH21 ' A' ' 736' ' ' ARG . 9.2 tp10 -77.75 -44.28 28.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.95 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.523 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.1 t -60.71 -30.94 48.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.656 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.9 m -65.0 -36.81 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.473 173.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.449 HH21 ' CD ' ' A' ' 733' ' ' GLU . 60.8 mtm-85 -77.37 -38.47 50.03 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.342 0.591 . . . . 0.0 109.533 -177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 734' ' ' VAL . 75.7 mt -61.2 -39.48 90.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.422 174.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.3 tp -71.39 -29.92 65.5 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.895 177.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -78.29 -21.02 50.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 44.0 mt -66.63 155.29 38.29 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.949 173.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.78 -25.61 18.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.928 -173.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.211 177.452 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.24 94.82 1.06 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.592 2.195 . . . . 0.0 112.661 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -69.42 -52.6 25.31 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . 0.442 ' HB3' ' HE2' ' A' ' 621' ' ' MET . 71.0 mtp 62.64 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.139 0.899 . . . . 0.0 112.697 174.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 42.4 p -90.28 179.92 5.78 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 86.5 t80 -55.62 -41.42 73.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.086 0.469 . . . . 0.0 110.389 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.77 -42.36 97.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.579 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.487 ' HA ' ' HG2' ' A' ' 628' ' ' GLU . . . -69.71 -38.01 76.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.701 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 78.2 mt -64.5 -38.69 91.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.7 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.14 -48.2 79.49 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.781 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 11.0 pt-20 -65.46 -39.56 92.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.717 -0.219 . . . . 0.0 110.54 -177.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -60.9 -43.7 98.14 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.273 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.44 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -59.45 -44.53 96.6 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.971 -0.633 . . . . 0.0 111.715 176.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.88 -41.94 83.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.842 0.353 . . . . 0.0 110.667 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.0 mm-40 -59.72 -40.57 88.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.583 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 56.5 m -69.62 -37.49 76.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 630' ' ' GLY . 98.3 t -63.92 -44.19 97.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 121.043 0.449 . . . . 0.0 110.237 176.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -66.62 -34.08 77.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.308 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.53 -5.91 57.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.797 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 56.0 mttp 66.81 22.9 10.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.921 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -101.63 67.45 1.12 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -66.45 -32.17 73.37 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.64 -1.163 . . . . 0.0 111.666 -171.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -63.16 -29.34 70.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.354 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.26 -35.02 21.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.043 0.449 . . . . 0.0 109.866 176.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -57.07 -39.86 75.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.853 177.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.406 HD11 HD12 ' A' ' 670' ' ' LEU . 93.2 mt -54.75 -45.5 74.19 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.739 176.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 21.7 t -65.63 -39.74 91.78 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.664 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -69.29 -44.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.764 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -70.13 -27.11 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.894 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 14.2 t -62.39 -37.78 87.08 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.02 0.438 . . . . 0.0 109.893 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -69.94 -25.71 63.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 63.7 m -66.27 -42.26 88.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.078 0.466 . . . . 0.0 110.194 177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.52 -10.32 58.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.518 -177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -77.01 -30.32 55.78 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.101 174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 43.3 mt -97.0 -50.96 11.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.371 -177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.433 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 35.1 t30 -137.19 131.58 32.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -175.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -119.01 14.52 13.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.039 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.403 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.6 mmtm -102.07 2.42 37.55 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 176.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . 0.43 ' CG ' HG12 ' A' ' 659' ' ' ILE . 8.4 tp10 -91.48 93.0 8.78 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 4.1 p -61.48 -22.24 64.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.56 -41.32 85.35 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-O 120.592 0.235 . . . . 0.0 110.943 177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.6 mm -58.32 -45.89 89.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.908 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -66.18 -46.2 78.18 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -62.55 -33.86 75.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.983 0.421 . . . . 0.0 111.468 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 10.7 m-20 -80.68 -38.0 29.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.591 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 2.8 ttp180 -68.55 -38.61 80.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.192 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.636 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.42 -41.12 88.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.727 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 67.5 tp -60.38 -39.22 86.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.357 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 61.3 m -66.71 -37.01 83.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.557 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 19.1 m-85 -66.66 -34.29 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.349 178.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 88.2 mt -63.57 -30.26 71.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.379 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -85.4 -18.7 32.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.187 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.424 ' O ' ' HG3' ' A' ' 672' ' ' GLN . 72.7 mt -102.56 24.79 9.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.682 -0.236 . . . . 0.0 110.731 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 27.9 p 45.85 36.59 2.93 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 124.096 0.873 . . . . 0.0 112.133 -177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 670' ' ' LEU . 23.3 mt-30 -113.55 57.69 0.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.647 0.737 . . . . 0.0 109.456 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -67.14 -35.08 78.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.691 -1.14 . . . . 0.0 111.098 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -61.78 -33.56 74.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.994 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -74.45 -43.07 57.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.265 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -59.8 -38.79 82.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.122 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.48 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -55.66 -35.63 66.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.822 178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -75.1 -41.23 59.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.725 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.59 -45.31 94.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.664 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 42.3 m -61.51 -33.45 73.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.524 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.67 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 14.8 t70 -61.51 -55.12 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.78 178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.609 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.3 mm100 -60.47 -36.7 78.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.294 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.2 -42.11 94.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.0 110.985 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.14 -29.51 61.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.67 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.8 mm-40 -65.01 -30.32 71.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.221 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 36.7 mt -86.4 -44.89 11.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.268 178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.74 103.66 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.72 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -82.56 90.35 6.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.39 0.614 . . . . 0.0 109.67 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 141.92 10.21 0.57 Allowed Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.394 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -77.82 101.73 6.88 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 717' ' ' VAL . 95.4 t -57.54 -39.89 71.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.192 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.703 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 61.5 mtpt -60.24 -37.02 79.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.475 179.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -68.23 -44.61 75.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.963 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -63.12 -44.74 94.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.334 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.562 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 66.0 t80 -62.83 -41.58 99.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.045 -177.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.703 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 23.7 mmt180 -65.55 -40.01 92.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.701 0.286 . . . . 0.0 110.331 178.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 681' ' ' ASP . 23.5 ttm180 -66.9 -40.44 87.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.93 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.401 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -59.66 -42.48 92.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.475 175.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 87.1 mt -67.06 -38.35 85.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.996 0.427 . . . . 0.0 110.279 177.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . 0.416 ' O ' ' HG ' ' A' ' 704' ' ' LEU . . . -60.89 -53.72 53.82 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.56 177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.48 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 57.8 m-70 -61.59 -37.3 83.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.691 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.45 -46.48 86.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.444 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.34 -20.98 75.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.459 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 700' ' ' ALA . 55.4 mt -93.43 6.52 47.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 109.849 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt 60.34 29.81 19.31 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.046 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -100.61 69.17 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.032 -0.985 . . . . 0.0 108.778 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 37.0 m-85 -76.35 -27.08 56.31 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.542 -169.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -65.93 -36.8 84.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.363 0.601 . . . . 0.0 109.411 175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.02 -48.01 47.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.268 178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 28.4 t -59.53 -41.36 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.609 -176.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.61 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.58 -39.56 85.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.071 0.462 . . . . 0.0 110.159 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.404 ' O ' HG23 ' A' ' 717' ' ' VAL . 50.4 m-20 -78.14 -35.66 48.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 -179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.597 ' O ' HG12 ' A' ' 718' ' ' ILE . 91.2 mt -65.89 -48.38 71.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.552 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 23.0 m-80 -59.02 -35.5 73.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.942 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -63.61 -42.61 98.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.288 177.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 691' ' ' VAL . 69.0 t -60.42 -42.68 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.655 174.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.597 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -61.48 -30.46 48.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 79.8 mt -78.86 -39.18 35.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.98 0.419 . . . . 0.0 111.171 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 90.3 mt -75.48 -41.83 54.48 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.674 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -146.21 89.88 5.86 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.119 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.48 5.87 4.84 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.762 2.308 . . . . 0.0 112.847 -177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.7 p -102.6 4.3 38.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.939 0.4 . . . . 0.0 110.929 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.554 HG22 ' H ' ' A' ' 727' ' ' ALA . 13.5 mt -83.19 99.5 5.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -60.33 -36.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.678 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 25.1 mm-40 -57.34 -44.29 84.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.854 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.554 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.49 -31.79 69.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.061 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . 0.407 ' NZ ' ' HB3' ' A' ' 728' ' ' LYS . 9.1 mtpm? -73.17 -28.8 62.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.27 0.557 . . . . 0.0 110.33 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.3 mmt -85.83 -19.93 29.91 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.722 178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 35.8 mm-40 -75.51 -56.03 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.252 178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.408 ' CA ' HD13 ' A' ' 714' ' ' LEU . 1.4 pt? -64.47 -28.56 69.75 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.706 -0.398 . . . . 0.0 111.348 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.55 -28.65 64.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.168 0.509 . . . . 0.0 110.332 177.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 40.2 tt0 -83.36 -43.83 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.464 ' HA ' HD12 ' A' ' 737' ' ' LEU . 84.0 t -60.82 -32.77 52.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.173 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 92.3 m -62.68 -34.98 78.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.72 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.529 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 48.0 mtm105 -78.62 -40.18 35.1 Favored 'General case' 0 CA--C 1.516 -0.351 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 -178.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 734' ' ' VAL . 91.5 mt -59.16 -39.08 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.638 176.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -67.85 -34.33 76.5 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.841 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.68 -6.21 59.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.823 -178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 76.5 mt -69.82 164.35 23.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.697 177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -86.56 -27.02 24.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.281 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.219 177.368 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.81 52.84 4.39 Favored 'Trans proline' 0 CA--C 1.532 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 112.988 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -122.75 114.44 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 95.7 mmm -76.18 118.65 19.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.242 0.544 . . . . 0.0 111.192 -176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.447 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 45.8 p -123.49 179.6 4.69 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.258 178.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 91.1 t80 -56.17 -42.67 77.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.215 0.531 . . . . 0.0 110.557 177.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.07 -40.91 82.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 -177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.447 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -64.25 -44.05 92.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.682 178.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 82.6 mt -60.6 -44.06 96.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.647 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.52 -49.53 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.838 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.4 mt-10 -64.94 -43.92 91.17 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.57 -0.287 . . . . 0.0 111.448 -176.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -63.81 -33.79 76.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 110.146 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.499 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.84 -45.69 95.17 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 172.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -57.64 -43.65 85.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.264 177.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.4 mm-40 -62.57 -40.19 96.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.569 -179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.457 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 77.4 m -65.29 -38.93 91.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.367 176.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 630' ' ' GLY . 75.5 t -59.26 -51.13 76.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.833 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -67.95 -19.73 64.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.401 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -96.42 6.47 48.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.564 -178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . 0.463 ' HA ' ' CE2' ' A' ' 639' ' ' TYR . 59.4 mttp 62.91 24.41 14.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.328 0.585 . . . . 0.0 111.048 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 65.8 t30 -112.3 63.34 0.63 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.725 0.774 . . . . 0.0 109.039 -179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.463 ' CE2' ' HA ' ' A' ' 637' ' ' LYS . 77.8 m-85 -68.9 -27.2 65.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.878 -1.056 . . . . 0.0 111.612 -172.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -62.81 -30.48 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.28 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.23 -24.98 21.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.505 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -62.46 -40.99 98.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.732 174.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 95.3 mt -55.31 -42.82 74.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.836 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 16.2 m -62.1 -38.37 88.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.126 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -77.26 -40.79 43.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.791 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -69.89 -29.22 66.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.216 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 33.4 t -61.96 -41.93 98.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.949 0.404 . . . . 0.0 110.01 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -72.93 -21.5 60.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.683 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.464 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.3 m -66.21 -40.87 90.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.124 174.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 86.9 mt -73.81 -11.41 60.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.211 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -69.7 -33.37 72.43 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-O 121.367 0.603 . . . . 0.0 109.587 169.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.2 mt -95.82 -53.28 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.245 -175.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.409 ' OD1' ' HB3' ' A' ' 655' ' ' LYS . 35.1 t30 -141.18 127.46 19.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.278 -172.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -116.58 9.22 14.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.569 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.466 ' C ' HD13 ' A' ' 686' ' ' LEU . 21.0 tptm -90.59 -11.8 38.9 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-O 121.621 0.725 . . . . 0.0 110.072 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -83.02 98.99 9.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.699 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 3.7 p -60.87 -23.94 65.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.747 177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -63.55 -27.77 69.49 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.91 0.386 . . . . 0.0 111.4 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.582 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.7 mm -71.01 -47.92 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.1 m-85 -65.48 -41.7 93.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.583 -178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 23.3 p -61.36 -50.92 70.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.949 0.404 . . . . 0.0 110.775 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -70.61 -31.39 68.34 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.945 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 6.4 ttp180 -68.23 -42.38 79.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.46 -41.14 96.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.421 175.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 60.5 tp -58.5 -37.62 75.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.081 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 75.9 m -65.58 -48.4 72.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.487 177.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.43 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 26.5 m-85 -58.1 -31.19 66.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.686 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.5 mt -61.29 -32.6 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.82 0.343 . . . . 0.0 111.413 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 639' ' ' TYR . 5.1 mptp? -83.1 -26.11 31.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.206 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -92.41 13.0 20.83 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.529 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 77.5 m 59.69 29.19 18.75 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.967 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -103.97 61.51 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.405 0.622 . . . . 0.0 109.474 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -66.78 -33.4 75.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.131 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.17 -39.58 95.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -178.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.22 -43.5 64.33 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 175.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . 0.43 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -56.82 -39.54 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.688 178.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -55.6 -45.96 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.137 0.494 . . . . 0.0 110.476 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 682' ' ' GLN . 49.8 mt-30 -73.53 -30.9 63.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.31 -176.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.421 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 10.0 m-20 -65.07 -45.89 83.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.01 0.433 . . . . 0.0 110.349 175.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 47.4 m -62.45 -35.58 79.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.94 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 25.2 t70 -62.52 -46.8 86.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.182 176.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.581 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 17.6 mm100 -60.75 -39.44 88.7 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.8 -38.57 91.18 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.783 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.13 -29.7 63.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.24 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 77.8 mt-30 -63.66 -29.93 71.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.546 174.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 25.3 mt -88.57 -45.25 10.04 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.35 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.97 104.05 8.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.654 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -79.48 90.4 5.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.999 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 134.23 20.07 0.84 Allowed Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.52 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -79.62 105.29 10.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.648 HG13 HG13 ' A' ' 717' ' ' VAL . 59.7 t -58.75 -39.96 78.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.779 -177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.435 ' O ' ' HD2' ' A' ' 696' ' ' ARG . 29.4 mmmt -63.95 -34.75 78.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.065 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.12 -44.17 63.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.286 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -61.59 -47.18 86.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.888 0.375 . . . . 0.0 110.389 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.493 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.1 t80 -58.58 -39.62 80.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -178.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 692' ' ' LYS . 52.6 mtt85 -72.94 -39.52 66.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.557 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -66.13 -34.97 79.25 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.02 90.91 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.562 173.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.4 mt -63.68 -38.23 90.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.493 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.32 -51.03 69.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 178.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.424 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.6 m-70 -63.18 -37.4 87.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.792 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -58.54 -40.48 83.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.296 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -73.17 -26.43 70.7 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.081 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 75.7 mt -90.01 10.65 23.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.657 0.265 . . . . 0.0 110.832 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 61.31 29.3 18.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.399 0.619 . . . . 0.0 110.804 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 94.5 m-20 -106.01 67.37 0.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -73.21 -29.23 62.66 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.329 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -63.21 -35.91 81.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.595 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' A' ' 709' ' ' LYS . 29.5 mmmt -77.64 -39.93 43.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.726 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.9 t -64.54 -41.66 96.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.128 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.27 -35.17 73.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.237 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.1 -36.28 71.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.572 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.403 ' O ' HG23 ' A' ' 717' ' ' VAL . 71.8 m-20 -82.31 -36.07 27.32 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.247 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 718' ' ' ILE . 96.2 mt -67.51 -48.5 66.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.425 -179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -63.4 -25.82 68.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -69.09 -48.11 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 175.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.648 HG13 HG13 ' A' ' 691' ' ' VAL . 77.5 t -56.1 -36.55 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.498 177.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' ' 714' ' ' LEU . 40.4 mm -61.71 -28.93 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.34 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 57.5 mt -84.5 -42.27 15.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.988 0.423 . . . . 0.0 110.539 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 76.3 mt -69.58 -36.8 76.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.66 -177.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -151.51 93.06 3.6 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-O 121.144 0.497 . . . . 0.0 110.236 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.51 2.96 6.3 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.774 2.316 . . . . 0.0 113.426 -177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 2.1 p -103.09 10.43 37.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.173 0.511 . . . . 0.0 110.946 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 727' ' ' ALA . 16.7 mt -87.88 104.34 14.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.029 176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 45.8 mm -69.08 -38.31 78.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.09 -174.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -60.68 -35.4 76.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.476 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.2 -29.47 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.746 177.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -73.91 -26.39 60.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.189 0.519 . . . . 0.0 110.275 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.6 mmt -86.94 -19.81 28.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.037 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.68 -52.62 6.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.503 178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -26.96 67.06 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 120.139 -0.624 . . . . 0.0 111.15 -174.731 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.511 ' N ' HD13 ' A' ' 731' ' ' LEU . 0.0 OUTLIER -73.28 -26.36 61.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.464 0.65 . . . . 0.0 109.847 178.135 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.17 -46.88 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.149 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -62.5 -36.01 72.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.719 -177.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 47.0 m -63.5 -31.9 73.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.977 0.418 . . . . 0.0 110.334 177.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.665 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 48.9 mtm105 -80.55 -39.77 27.14 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 734' ' ' VAL . 57.7 mt -57.14 -41.36 78.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.814 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 67.3 tp -63.55 -36.78 84.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.727 175.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -81.81 -4.23 55.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.004 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 68.1 mt -79.77 -175.64 4.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.657 0.265 . . . . 0.0 110.871 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -75.09 -58.12 3.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.731 0.3 . . . . 0.0 110.616 -178.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 36.9 t70 . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.066 179.184 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.821 -0.512 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.44 3.99 7.4 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.931 2.421 . . . . 0.0 112.859 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -108.43 101.29 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.287 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 86.9 mtp 65.46 175.27 0.21 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.751 0.657 . . . . 0.0 111.611 176.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.502 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 42.9 p -127.93 176.9 7.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.078 177.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 86.9 t80 -58.39 -42.66 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.048 0.451 . . . . 0.0 110.255 178.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -65.14 -44.26 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.542 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.502 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -62.95 -45.29 93.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.839 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.44 -42.6 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.18 -51.96 66.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.421 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 28.3 mm-40 -59.59 -46.09 89.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.491 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -60.73 -39.26 87.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.567 178.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -64.64 -43.37 96.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.794 176.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -56.75 -41.33 77.37 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.949 0.404 . . . . 0.0 110.607 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.6 mm-40 -63.94 -39.24 93.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.63 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 638' ' ' ASN . 66.1 m -66.52 -38.25 86.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.446 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 83.8 t -60.36 -47.54 92.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.95 0.405 . . . . 0.0 110.484 175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -70.42 -23.97 62.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.84 -2.68 56.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.32 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt 64.31 27.63 13.77 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.404 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' A' ' 633' ' ' CYS . 54.4 t30 -112.18 73.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.073 176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.563 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.9 m-85 -73.84 -21.2 60.2 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.787 -173.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -58.39 -43.59 88.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.363 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -77.86 -35.27 51.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.119 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.32 79.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.666 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 94.6 mt -53.66 -48.84 69.05 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.751 176.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 13.2 m -62.22 -42.6 99.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.827 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.27 -46.61 69.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.272 -177.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -67.61 -31.24 71.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.717 -178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 48.9 m -67.93 -30.8 70.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.974 0.416 . . . . 0.0 110.236 177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -70.97 -32.16 68.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.373 174.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 70.1 m -62.66 -49.6 74.49 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.791 178.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.1 mt -56.68 -35.5 68.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.558 -176.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 647' ' ' SER . 63.7 mttm -62.21 -23.11 66.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.444 . . . . 0.0 110.639 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.5 mt -96.23 -40.82 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.416 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 43.3 t30 -149.68 123.38 9.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.601 -175.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -111.66 20.72 16.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.995 0.426 . . . . 0.0 110.504 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -103.81 9.99 36.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -105.65 98.3 8.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.261 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 19.8 p -62.69 -25.17 68.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.594 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.16 78.1 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.757 0.313 . . . . 0.0 111.345 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.52 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 47.3 mm -62.32 -44.63 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.43 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 64.6 m-85 -66.23 -46.35 77.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . 0.632 HG21 ' HG3' ' A' ' 692' ' ' LYS . 7.4 p -62.03 -35.59 79.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.765 0.317 . . . . 0.0 111.766 -178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -80.14 -37.93 32.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.537 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.543 ' HB3' ' OD1' ' A' ' 679' ' ' ASP . 3.8 ttp180 -68.51 -36.05 78.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.748 0.308 . . . . 0.0 110.276 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.523 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -63.13 -47.33 83.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.285 174.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.63 -41.24 66.5 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.562 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.414 ' HA ' ' CD1' ' A' ' 639' ' ' TYR . 76.8 m -62.87 -50.9 69.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.646 177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 9.3 m-85 -56.29 -39.86 73.37 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.416 179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 96.2 mt -57.58 -40.5 79.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.304 179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -72.4 -28.64 63.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.439 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -94.4 13.15 24.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.671 0.272 . . . . 0.0 110.973 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 61.7 m 60.76 35.43 19.57 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.569 177.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 75.7 mt-30 -106.97 67.1 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -70.68 -36.28 73.24 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.983 -169.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -61.5 -41.36 97.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.542 . . . . 0.0 110.314 -177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -73.48 -34.96 65.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.069 176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.8 98.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.97 177.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.448 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 27.6 ttmt -55.44 -48.3 74.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.591 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.52 -43.58 96.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.371 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.543 ' OD1' ' HB3' ' A' ' 663' ' ' ARG . 5.9 m-20 -59.13 -45.77 90.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.926 178.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 693' ' ' ALA . 61.0 m -60.83 -39.0 87.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.625 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 35.6 t70 -64.27 -46.06 85.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.308 178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.1 mm100 -61.54 -34.49 75.64 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.032 178.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.67 99.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.337 176.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 687' ' ' ALA . 80.3 mt -71.58 -28.23 63.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.24 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 14.9 mm100 -60.29 -38.53 83.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.086 174.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.3 mt -83.68 -46.26 12.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.339 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 684' ' ' LEU . . . -120.88 102.58 8.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.925 178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.44 92.76 7.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.012 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 130.59 21.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.555 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . 0.7 ' OD1' ' HG2' ' A' ' 692' ' ' LYS . 41.7 t-20 -83.1 106.98 15.35 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.673 HG13 HG13 ' A' ' 717' ' ' VAL . 86.0 t -57.04 -43.72 81.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 112.176 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.7 ' HG2' ' OD1' ' A' ' 690' ' ' ASN . 17.6 ptmt -66.74 -30.31 70.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.774 0.321 . . . . 0.0 110.793 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' ' 680' ' ' CYS . . . -66.53 -41.52 88.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.522 177.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.92 -46.12 79.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.245 0.545 . . . . 0.0 110.137 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.556 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 64.9 t80 -58.7 -45.57 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.221 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 25.4 mmt180 -67.72 -35.52 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -68.86 -39.07 80.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.684 0.278 . . . . 0.0 110.416 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.23 90.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.624 175.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 77.7 mt -66.41 -38.72 88.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.57 -49.1 76.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.714 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.448 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 65.2 m-70 -61.64 -36.52 81.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.995 178.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -58.55 -44.13 89.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.029 0.442 . . . . 0.0 110.087 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.46 -22.73 78.59 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.529 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 74.6 mt -93.86 12.45 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.777 0.322 . . . . 0.0 110.686 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.3 mttp 61.77 25.85 15.61 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.216 179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -102.73 69.18 1.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -75.62 -32.14 60.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.836 -170.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.592 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -65.0 -34.26 78.02 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 176.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -76.24 -42.77 44.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.476 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.1 t -61.88 -41.29 97.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.228 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 42.3 mt -58.12 -34.34 70.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.324 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 708' ' ' GLN . 66.1 mt -61.96 -41.1 89.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.841 0.353 . . . . 0.0 110.38 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 717' ' ' VAL . 64.5 m-20 -77.18 -35.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.914 -179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.598 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.4 mt -66.82 -48.34 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.463 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.696 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.3 m-80 -58.63 -37.33 75.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.644 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.445 ' O ' ' HG ' ' A' ' 720' ' ' LEU . 13.1 tptm -61.41 -43.9 98.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.344 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.673 HG13 HG13 ' A' ' 691' ' ' VAL . 70.6 t -60.12 -42.22 89.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.758 174.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.598 HG12 ' O ' ' A' ' 714' ' ' LEU . 47.2 mm -62.19 -31.62 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.011 0.434 . . . . 0.0 110.801 178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.696 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 65.8 mt -73.82 -45.12 53.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.312 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 716' ' ' LYS . 85.7 mt -69.03 -46.13 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.912 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -151.59 97.73 3.08 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 121.214 0.53 . . . . 0.0 110.562 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -79.3 11.72 2.56 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.179 2.586 . . . . 0.0 112.675 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 40.6 m -96.65 -6.46 36.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.995 0.426 . . . . 0.0 110.354 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 727' ' ' ALA . 12.7 mt -79.91 103.26 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.062 178.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.472 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.0 mm -62.64 -33.71 61.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.427 -178.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 36.9 mt-10 -53.4 -51.76 61.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.166 178.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.406 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.9 -30.27 70.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.105 -177.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -69.12 -29.99 68.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.414 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . 0.472 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 24.2 mmt -87.61 -20.39 26.45 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.605 178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.56 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 15.6 mm-40 -83.04 -45.16 14.37 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -176.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.96 -27.19 67.26 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.668 -176.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.504 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.6 pt-20 -71.42 -39.16 71.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 177.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 33.3 tt0 -66.56 -50.66 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.287 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' A' ' 737' ' ' LEU . 96.0 t -60.83 -32.09 51.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.993 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 91.8 m -63.76 -39.44 94.28 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.483 174.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 740' ' ' LEU . 61.5 mtm-85 -75.22 -30.58 60.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.239 0.542 . . . . 0.0 109.812 -176.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 734' ' ' VAL . 69.6 mt -69.73 -40.73 76.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.184 175.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 64.3 tp -68.94 -39.43 79.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.882 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.57 -17.14 64.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -101.83 151.23 22.32 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -178.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . 0.541 ' N ' HD12 ' A' ' 740' ' ' LEU . 22.0 tptm -89.06 50.83 2.02 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 122.73 1.252 . . . . 0.0 109.881 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--N 1.297 -1.703 0 CA-C-N 112.329 -2.214 . . . . 0.0 111.45 178.747 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.708 -0.557 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.32 116.73 3.45 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.739 2.292 . . . . 0.0 112.094 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -80.82 89.33 5.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.967 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 66.2 mtp 70.2 116.22 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.848 -174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 43.5 p -93.1 179.66 5.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.514 -176.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.657 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 76.9 t80 -53.78 -40.86 66.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.519 176.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -61.21 -44.06 97.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.19 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -67.06 -44.41 80.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.037 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.115 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -60.56 -46.7 89.21 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 37.5 mm-40 -62.89 -43.54 98.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.463 -179.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -59.36 -41.15 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.094 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -61.78 -45.04 97.05 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.682 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -59.4 -37.73 78.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.883 0.373 . . . . 0.0 110.695 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 31.4 mm-40 -68.76 -39.34 80.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.71 177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.412 ' SG ' ' HG3' ' A' ' 645' ' ' LYS . 78.8 m -62.54 -43.16 99.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.38 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 96.6 t -63.05 -41.68 93.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.048 0.452 . . . . 0.0 110.52 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -63.59 -36.48 83.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.654 178.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -78.18 -9.83 59.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 70.8 26.37 3.77 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.957 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -97.66 64.44 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.461 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 61.9 m-85 -68.79 -33.57 74.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.284 -171.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -62.21 -35.08 77.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.293 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 9.2 t70 -89.76 -27.84 19.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 0.0 110.038 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.71 -33.66 68.63 Favored 'General case' 0 CA--C 1.522 -0.104 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.551 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . . . . . . . . . 96.1 mt -52.23 -46.52 65.74 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.803 175.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 35.7 t -66.26 -45.17 81.47 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.324 178.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 30.0 mmmt -56.68 -45.21 81.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -178.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -72.15 -31.66 66.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.339 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 56.6 m -70.25 -29.07 65.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.89 0.376 . . . . 0.0 110.4 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 644' ' ' SER . 17.5 mm-40 -63.01 -32.67 74.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.064 0.459 . . . . 0.0 109.839 173.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.657 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 69.3 m -70.6 -41.33 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.715 178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 97.5 mt -59.81 -30.05 68.65 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.394 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -65.45 -24.41 67.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.762 178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 30.1 mt -96.52 -47.25 12.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.484 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -146.67 125.97 13.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.123 -175.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -109.8 7.44 24.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.195 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.48 ' HA ' HD22 ' A' ' 686' ' ' LEU . 47.5 mmtm -96.67 13.64 27.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.604 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . 0.498 ' CG ' HG12 ' A' ' 659' ' ' ILE . 7.6 tp10 -105.22 100.82 10.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.465 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 10.6 p -60.32 -26.75 66.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.757 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.76 -31.68 72.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.8 0.334 . . . . 0.0 111.5 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.511 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 50.2 mm -68.96 -50.16 56.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -63.14 -42.79 99.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.553 -178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 61.3 p -66.94 -41.34 87.14 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.859 -0.337 . . . . 0.0 111.319 -177.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -73.27 -33.45 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.762 0.315 . . . . 0.0 110.643 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 3.8 ttp180 -68.06 -39.74 82.94 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.611 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -61.18 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.315 173.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 668' ' ' LEU . 60.8 tp -56.72 -41.59 77.72 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.51 176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.3 m -64.13 -49.16 73.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.264 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.406 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 12.9 m-85 -53.78 -38.81 64.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 97.5 mt -57.09 -32.98 66.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.587 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.461 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 5.3 mptp? -84.8 -23.79 28.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.509 -177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -92.04 17.09 9.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.815 0.341 . . . . 0.0 110.318 174.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 37.9 m 65.13 17.51 11.07 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.737 175.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -96.82 61.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.219 0.533 . . . . 0.0 110.195 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -65.71 -37.11 85.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.42 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -61.14 -38.22 85.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.296 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.58 -39.71 51.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.94 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -59.72 -41.53 91.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.807 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.483 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 30.0 ttmt -53.17 -38.58 62.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.146 178.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -68.39 -46.58 69.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.91 -177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.42 -37.87 76.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.933 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 57.0 m -61.33 -37.47 83.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.596 177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 28.4 t70 -69.33 -43.48 73.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 178.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.536 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 14.4 mm100 -59.28 -38.78 81.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.731 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.71 -36.19 81.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.069 178.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 54.0 mt -75.58 -28.69 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -60.46 -35.58 76.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.059 0.457 . . . . 0.0 109.886 173.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 32.4 mt -80.1 -50.2 10.66 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.213 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.61 104.26 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.139 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -80.35 94.37 6.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.99 22.62 0.91 Allowed Glycine 0 N--CA 1.448 -0.504 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -175.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -94.2 104.01 16.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.707 HG13 HG13 ' A' ' 717' ' ' VAL . 62.9 t -52.65 -43.57 44.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.011 -0.995 . . . . 0.0 112.597 -172.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.73 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 43.2 mmtm -57.41 -35.35 69.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.513 0.196 . . . . 0.0 111.241 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.52 -42.68 70.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.882 0.372 . . . . 0.0 110.67 -176.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -66.67 -42.34 86.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.005 178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.619 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 31.5 t80 -62.33 -47.15 85.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.873 -177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.73 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 27.1 mmt180 -65.42 -39.06 91.66 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -63.46 -47.63 81.05 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.537 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.524 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -54.93 -45.65 74.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.173 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 90.2 mt -61.92 -39.96 93.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.44 178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -62.43 -53.04 60.73 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.923 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.483 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 53.3 m-70 -60.38 -35.44 75.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.15 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -57.79 -49.02 78.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.036 0.446 . . . . 0.0 110.475 178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -66.74 -23.8 72.53 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.684 177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.9 mt -89.87 11.06 21.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.676 0.274 . . . . 0.0 110.644 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.85 25.3 15.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.375 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . 0.407 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 93.2 m-20 -104.16 73.44 1.13 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -76.95 -35.63 57.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.138 -169.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 712' ' ' ILE . 8.0 tp-100 -69.46 -35.15 75.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -69.11 -39.19 79.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.161 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.8 t -67.12 -42.74 83.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.111 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 56.1 mt -55.99 -34.15 65.5 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 708' ' ' GLN . 78.0 mt -59.51 -45.65 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.842 0.354 . . . . 0.0 110.729 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.448 ' O ' HG23 ' A' ' 717' ' ' VAL . 5.6 m-20 -86.38 -20.41 28.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.376 -176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.996 ' HB3' HD12 ' A' ' 731' ' ' LEU . 26.0 mt -69.96 -52.26 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.307 173.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.584 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 35.1 m-80 -58.21 -31.89 67.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.142 0.496 . . . . 0.0 110.019 174.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.64 ' O ' HD22 ' A' ' 720' ' ' LEU . 13.3 tptm -62.0 -48.97 77.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.632 177.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.707 HG13 HG13 ' A' ' 691' ' ' VAL . 72.4 t -55.18 -40.23 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.78 0.324 . . . . 0.0 110.807 176.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 731' ' ' LEU . 38.1 mm -61.28 -29.38 45.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.192 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.0 mt -70.5 -58.21 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.032 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.64 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.6 OUTLIER -58.27 -58.72 7.22 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.512 0.672 . . . . 0.0 111.24 177.422 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -135.18 89.69 22.96 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.203 -173.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -79.31 8.77 3.7 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.919 2.413 . . . . 0.0 112.172 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 18.5 m -98.81 7.86 45.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.2 0.524 . . . . 0.0 110.415 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 727' ' ' ALA . 28.6 mt -91.61 106.92 18.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.281 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.4 mm -62.3 -36.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.409 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 15.2 mm-40 -61.03 -38.85 87.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.851 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.566 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -67.82 -42.52 81.36 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . 0.541 ' HA ' HD21 ' A' ' 731' ' ' LEU . 4.0 mmmp? -55.5 -32.71 63.09 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.987 -176.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 21.2 mmt -83.48 -19.12 36.37 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.029 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.6 mm-40 -84.47 -43.05 14.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.996 HD12 ' HB3' ' A' ' 714' ' ' LEU . 0.0 OUTLIER -63.21 -32.72 74.19 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.885 -0.726 . . . . 0.0 109.068 -179.133 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 736' ' ' ARG . 10.9 pt-20 -74.04 -41.37 61.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.105 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 35.1 tt0 -64.7 -53.65 44.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.493 ' HA ' HD12 ' A' ' 737' ' ' LEU . 85.4 t -62.68 -31.6 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.668 -175.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 86.4 m -65.68 -36.52 83.88 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.293 175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 732' ' ' GLU . 34.3 mtm-85 -74.76 -30.84 61.6 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 79.5 mt -69.38 -40.09 77.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.178 174.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.2 tp -67.31 -31.26 71.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.576 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -29.02 69.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.062 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 82.2 mt -84.69 167.05 16.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.484 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -108.86 -21.68 12.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.806 -179.258 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -75.22 91.8 1.03 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.217 2.612 . . . . 0.0 112.131 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -104.09 -58.31 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.347 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 90.2 mtp -136.96 135.84 38.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.539 178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.7 p -82.73 164.74 20.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.319 -177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.454 ' CE2' ' HB3' ' A' ' 653' ' ' ASN . 37.0 t80 -49.8 -42.82 47.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.098 0.475 . . . . 0.0 110.402 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -56.33 -41.73 76.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.297 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -65.85 -57.51 7.76 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 648' ' ' GLU . 3.1 mm? -55.64 -41.72 73.98 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -61.69 -51.44 68.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.625 -178.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 23.2 mm-40 -65.99 -45.39 81.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.327 -178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -61.77 -39.4 91.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.516 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.74 -45.63 95.36 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.105 -0.569 . . . . 0.0 111.778 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -54.98 -42.51 72.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.945 0.402 . . . . 0.0 110.545 177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 30.9 mm-40 -65.64 -36.96 85.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.009 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.1 m -66.75 -37.54 84.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.347 177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.95 -44.67 99.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.471 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.61 -35.76 82.06 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.341 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.59 -7.29 52.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp 65.95 30.01 9.97 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.685 -176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -107.61 68.02 0.7 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 57.1 m-85 -71.16 -30.0 65.91 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.173 -168.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -65.24 -29.45 70.25 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.781 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -88.41 -31.23 18.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.996 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.92 75.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.199 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 97.0 mt -54.36 -45.58 72.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.699 175.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 23.0 t -58.58 -48.09 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.551 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -59.01 -51.72 68.87 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.496 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.29 -32.95 74.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.821 -175.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 68.8 m -66.84 -30.26 70.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.721 0.296 . . . . 0.0 110.473 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.498 ' HB2' ' HG ' ' A' ' 626' ' ' LEU . 70.6 mm-40 -72.23 -34.91 68.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 174.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 626' ' ' LEU . 73.9 m -57.27 -48.63 78.4 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.294 175.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 98.2 mt -61.71 -36.99 82.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.228 -178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 648' ' ' GLU . 51.0 mtpt -59.92 -27.66 66.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.509 . . . . 0.0 110.569 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 32.8 mt -91.71 -40.19 12.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.658 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.454 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 30.9 t30 -149.6 111.82 4.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.825 -179.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -93.37 6.01 49.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.89 0.376 . . . . 0.0 110.733 178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 50.1 mmtm -97.56 12.29 33.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.313 -176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.61 105.13 15.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.842 0.353 . . . . 0.0 111.068 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.2 p -68.72 -20.5 64.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.782 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -64.14 -34.58 78.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.935 0.398 . . . . 0.0 110.861 178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 52.0 mm -70.22 -46.88 70.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -59.25 -47.14 86.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.046 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 16.9 p -63.87 -34.42 77.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.412 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -73.94 -36.85 64.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.155 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -64.5 -43.17 94.97 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.004 175.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.42 -45.12 80.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.81 -39.56 74.4 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.771 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.82 -43.75 52.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.037 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -56.26 -40.66 74.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.282 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 86.6 mt -56.13 -36.63 68.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.179 0.514 . . . . 0.0 110.845 178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -73.34 -25.6 60.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.283 -176.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -98.88 16.81 21.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 0.0 110.575 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.81 20.7 12.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.866 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.64 65.89 3.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.246 0.546 . . . . 0.0 110.25 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 51.4 m-85 -67.92 -34.79 77.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.023 -176.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.23 -30.82 69.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.99 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.85 -42.6 23.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.324 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.48 -38.39 77.52 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.538 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -58.99 -41.52 87.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.764 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -58.63 -47.33 84.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.085 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -39.42 92.8 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.241 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.6 m -60.98 -39.51 89.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.063 0.458 . . . . 0.0 110.407 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 15.5 t70 -66.98 -47.25 72.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.323 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' A' ' 682' ' ' GLN . 9.7 mm100 -60.33 -34.12 73.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.182 177.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.21 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.03 -29.46 66.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.141 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 78.1 mt-30 -63.52 -35.04 79.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.127 0.489 . . . . 0.0 110.376 176.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 46.3 mt -83.77 -45.37 13.41 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.415 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -127.33 104.27 7.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.662 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.73 89.61 4.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.711 178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.64 24.44 0.54 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.64 -0.79 . . . . 0.0 111.884 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -86.0 107.1 17.62 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.812 HG13 HG13 ' A' ' 717' ' ' VAL . 84.0 t -57.05 -41.05 76.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.747 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.5 -38.76 85.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.993 0.425 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -67.05 -45.79 76.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.702 -177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -64.99 -52.0 58.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.977 0.418 . . . . 0.0 110.765 179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 81.6 t80 -58.67 -43.18 89.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.438 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -82.29 -20.75 36.84 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.287 -176.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -70.87 -39.06 73.09 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 171.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 713' ' ' ASP . . . -57.46 -49.77 75.18 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.111 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 81.3 mt -59.29 -40.42 86.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.393 177.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -65.18 -29.56 70.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.33 178.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -79.03 -44.02 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.31 -0.244 . . . . 0.0 110.545 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -56.34 -42.42 77.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.722 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.48 -22.81 75.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.429 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.16 12.87 29.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt 66.45 27.66 9.77 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.193 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -104.07 84.59 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.647 176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . 0.499 ' CE1' ' HB3' ' A' ' 737' ' ' LEU . 23.7 m-85 -82.25 -34.82 28.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.652 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.459 HE21 HD21 ' A' ' 738' ' ' LEU . 6.2 tp-100 -66.0 -36.8 84.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 109.53 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -70.68 -41.68 71.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.801 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 714' ' ' LEU . 13.6 t -67.26 -34.8 78.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.891 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 31.9 mt -61.19 -34.4 75.01 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 121.099 -0.24 . . . . 0.0 111.219 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.99 -47.65 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.647 178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 717' ' ' VAL . 72.2 m-20 -73.42 -33.11 64.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.537 . . . . 0.0 111.151 -177.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.3 mt -67.79 -51.87 43.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.491 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -59.44 -31.73 69.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.267 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.539 ' O ' HD13 ' A' ' 720' ' ' LEU . 26.8 tptt -63.46 -49.74 72.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 176.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.812 HG13 HG13 ' A' ' 691' ' ' VAL . 77.3 t -54.94 -37.07 40.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.464 178.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 714' ' ' LEU . 38.3 mm -62.98 -28.75 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.665 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.2 -50.37 19.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.997 0.427 . . . . 0.0 109.893 177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 716' ' ' LYS . 10.1 mp -56.11 -59.79 4.41 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.934 177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -130.5 90.43 41.0 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.276 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.73 5.56 2.85 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 123.149 2.566 . . . . 0.0 113.239 -177.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 13.1 m -101.13 -3.53 29.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.064 0.459 . . . . 0.0 110.432 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.5 mt -80.33 101.35 5.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.175 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.09 -40.62 80.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.669 -176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.2 pt-20 -58.69 -35.35 72.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.394 -178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -70.45 -33.81 71.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.021 0.438 . . . . 0.0 110.646 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 731' ' ' LEU . 97.8 mttt -72.77 -27.46 62.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.337 0.589 . . . . 0.0 109.733 179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.26 -19.9 52.76 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.323 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 19.1 mm-40 -82.95 -46.31 13.08 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.987 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 732' ' ' GLU . 4.6 pp -60.73 -33.2 72.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.75 -178.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.541 ' N ' HD12 ' A' ' 731' ' ' LEU . 7.4 pt-20 -72.38 -38.95 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.36 . . . . 0.0 110.24 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.52 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 9.0 tp10 -67.45 -50.44 59.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.293 -179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.451 ' HA ' HD12 ' A' ' 737' ' ' LEU . 88.5 t -61.21 -33.05 54.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.095 -178.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 60.0 m -65.32 -38.7 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.507 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 46.7 mtm-85 -71.39 -34.15 70.14 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 733' ' ' GLU . 83.4 mt -68.06 -44.2 76.88 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.876 -1.057 . . . . 0.0 110.591 176.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . 0.459 HD21 HE21 ' A' ' 708' ' ' GLN . 53.0 tp -68.13 -29.41 68.31 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.678 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -82.28 -11.85 58.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.108 179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 50.4 mt -67.04 166.85 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 110.583 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -89.16 -9.79 49.62 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.848 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.895 178.324 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.8 128.24 19.5 Favored 'Trans proline' 0 N--CA 1.463 -0.266 0 C-N-CA 122.941 2.428 . . . . 0.0 112.036 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -79.92 -19.81 47.2 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.49 178.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 63.9 mtp -82.09 107.62 14.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 0.0 110.348 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 64.8 p -108.74 -174.01 2.41 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.649 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.556 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.7 t80 -56.88 -38.29 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.154 0.502 . . . . 0.0 110.029 174.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . 0.471 ' H ' ' HD2' ' A' ' 624' ' ' LYS . 1.2 mptp? -68.01 -43.81 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.29 -178.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -59.62 -50.06 75.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.677 178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 81.3 mt -57.09 -44.87 83.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.659 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -59.88 -56.48 21.16 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.004 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 632' ' ' GLN . 24.7 mm-40 -59.76 -44.76 93.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.626 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -64.48 -36.53 84.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.629 0.252 . . . . 0.0 110.334 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.426 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -63.23 -40.83 99.52 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.592 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -59.46 -38.11 79.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.194 0.521 . . . . 0.0 110.253 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 26.5 mm-40 -66.44 -31.49 72.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.588 179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 642' ' ' ALA . 56.1 m -72.46 -39.3 67.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.114 176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 630' ' ' GLY . 93.9 t -62.2 -46.35 96.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.878 179.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -71.66 -25.26 62.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.006 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -80.26 -4.86 54.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.37 0.605 . . . . 0.0 110.26 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt 63.59 25.9 14.49 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.93 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -103.82 65.45 0.82 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.18 -29.26 68.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.06 -170.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.38 -32.44 73.25 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . 0.443 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 26.5 t70 -82.71 -33.5 27.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.059 0.457 . . . . 0.0 109.924 178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 633' ' ' CYS . . . -60.4 -38.62 84.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.807 178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.408 HD11 HD12 ' A' ' 670' ' ' LEU . 91.3 mt -54.18 -48.2 71.19 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.805 177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 33.5 t -60.74 -37.91 83.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.613 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 31.3 mmmt -67.89 -51.48 47.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.717 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.409 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 34.2 m-85 -66.55 -32.17 73.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.593 -177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 49.6 m -68.49 -27.29 66.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -78.07 -23.31 48.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.37 . . . . 0.0 110.39 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 62.2 m -66.51 -39.36 88.63 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 83.7 mt -71.76 -10.82 60.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.757 0.789 . . . . 0.0 111.44 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -78.11 -26.43 48.01 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.912 173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 40.7 mt -99.57 -51.46 9.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.26 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.508 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 33.7 t30 -139.86 132.84 29.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.146 -173.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -122.2 18.23 10.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.401 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -105.68 10.82 32.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.312 0.577 . . . . 0.0 110.332 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.37 99.39 9.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.661 179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 686' ' ' LEU . 9.2 p -62.15 -25.4 67.73 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.9 -33.71 72.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.821 0.344 . . . . 0.0 111.329 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 48.6 mm -66.35 -46.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.113 178.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -67.43 -45.24 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.334 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 25.8 p -63.62 -41.66 98.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.692 0.282 . . . . 0.0 111.383 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -75.78 -32.62 59.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.981 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.558 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -67.45 -38.95 85.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 176.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -59.66 -43.28 93.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.666 175.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.45 -42.4 82.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 63.4 m -66.9 -40.35 87.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.889 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.422 ' HB2' ' HB2' ' A' ' 676' ' ' ALA . 14.4 m-85 -65.0 -40.36 94.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.382 178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -57.65 -40.08 78.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.886 179.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -67.4 -32.55 73.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.408 HD12 HD11 ' A' ' 643' ' ' LEU . 67.8 mt -91.01 12.53 19.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.654 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 12.7 t 63.86 26.04 14.18 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.276 176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -103.96 77.77 1.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.468 0.651 . . . . 0.0 109.565 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -71.94 -42.4 66.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.5 -172.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -58.31 -37.52 75.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.893 0.378 . . . . 0.0 110.504 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -68.32 -50.48 53.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.132 0.491 . . . . 0.0 109.912 177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -60.76 -35.07 75.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.498 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.495 ' HB2' ' HB1' ' A' ' 700' ' ' ALA . 29.1 tttt -67.53 -47.2 70.59 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.64 -177.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' A' ' 681' ' ' ASP . 47.2 mt-30 -68.59 -34.15 75.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.5 -46.35 89.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.574 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 82.1 m -62.65 -32.07 73.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.993 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 678' ' ' GLN . 28.1 m-20 -60.51 -45.62 93.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.993 0.425 . . . . 0.0 110.267 175.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.541 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.0 mm100 -64.69 -39.5 93.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.754 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.44 93.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.101 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.7 mt -70.49 -27.16 63.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.531 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.424 HE21 ' HA ' ' A' ' 682' ' ' GLN . 50.2 mt-30 -70.09 -20.31 63.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.665 175.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 37.4 mt -97.44 -43.27 7.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.312 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -122.81 103.78 8.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.991 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.13 89.15 5.41 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.104 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 132.55 16.13 1.35 Allowed Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.054 -178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -75.21 105.24 6.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.629 HG13 HG13 ' A' ' 717' ' ' VAL . 88.7 t -59.01 -39.53 78.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.101 -176.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -64.96 -32.2 73.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.617 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -72.06 -41.88 66.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.66 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -66.01 -49.13 68.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.061 0.458 . . . . 0.0 110.088 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.536 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 78.5 t80 -58.33 -43.9 88.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.513 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -80.36 -26.89 38.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.563 -176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -69.41 -36.93 77.19 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 714' ' ' LEU . . . -60.56 -47.47 86.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.754 174.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 88.6 mt -59.59 -39.21 83.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.158 0.504 . . . . 0.0 110.424 177.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' ' 677' ' ' LYS . . . -67.71 -50.9 55.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.101 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.477 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 38.8 m-70 -55.6 -42.61 75.07 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.18 0.514 . . . . 0.0 110.144 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.84 -46.02 81.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.118 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.07 -21.02 73.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.444 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 64.3 mt -94.43 6.54 48.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.861 0.362 . . . . 0.0 110.462 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 65.4 mttp 65.36 24.22 12.06 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.103 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -94.69 66.65 3.21 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -75.57 -33.8 60.64 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.382 -168.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -63.89 -33.59 76.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.372 0.606 . . . . 0.0 109.639 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . 0.404 ' HE3' ' HB3' ' A' ' 709' ' ' LYS . 29.9 mmmt -77.08 -43.19 35.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.03 -0.986 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 20.0 t -62.31 -41.03 98.18 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.467 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.69 -31.35 69.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.699 -179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 62.1 mt -64.81 -38.07 81.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.979 0.418 . . . . 0.0 110.238 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 717' ' ' VAL . 84.3 m-20 -79.08 -37.42 38.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.603 ' O ' HG12 ' A' ' 718' ' ' ILE . 94.6 mt -65.06 -46.28 81.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.367 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.638 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 24.0 m-80 -62.22 -37.71 86.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 175.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.82 -44.51 90.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.925 0.393 . . . . 0.0 110.404 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.629 HG13 HG13 ' A' ' 691' ' ' VAL . 76.2 t -60.65 -37.57 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.699 176.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.603 HG12 ' O ' ' A' ' 714' ' ' LEU . 42.6 mm -66.48 -29.45 46.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.054 0.454 . . . . 0.0 110.547 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 53.2 mt -76.84 -43.3 36.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.159 0.504 . . . . 0.0 110.245 178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.31 -48.04 58.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.815 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -144.35 91.75 6.27 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 121.111 0.481 . . . . 0.0 110.368 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.88 7.64 2.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 123.008 2.472 . . . . 0.0 112.642 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.5 m -93.15 -5.95 49.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.264 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.474 HG22 ' H ' ' A' ' 727' ' ' ALA . 25.1 mt -84.02 103.96 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.151 -175.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 42.9 mm -64.1 -33.27 61.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.232 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 32.9 mt-10 -54.07 -46.85 72.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.784 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -72.99 -27.06 61.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.127 -177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.17 -31.88 70.82 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.291 0.567 . . . . 0.0 110.06 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.7 mmt -85.35 -27.88 25.57 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.851 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 734' ' ' VAL . 16.8 mm-40 -77.52 -45.01 26.81 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.341 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.3 OUTLIER -68.57 -30.09 68.78 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.221 -0.592 . . . . 0.0 111.083 -176.105 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.64 -35.81 75.54 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.92 -50.75 39.04 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.088 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.562 ' HA ' HD12 ' A' ' 737' ' ' LEU . 86.4 t -58.46 -34.77 51.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.14 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 98.6 m -60.92 -41.32 95.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.715 0.293 . . . . 0.0 110.796 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.403 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 31.2 mtm-85 -76.47 -36.24 57.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.374 0.607 . . . . 0.0 109.598 -177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 734' ' ' VAL . 68.9 mt -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.747 175.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 65.2 tp -65.18 -33.67 76.55 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.773 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.37 -25.45 62.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.862 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 77.7 mt -73.32 163.33 28.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.439 . . . . 0.0 110.273 175.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -105.61 -34.43 7.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.075 -176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.911 -177.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -58.4 120.94 9.14 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.85 2.367 . . . . 0.0 112.381 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -86.93 -35.2 19.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.05 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 97.5 mmm -126.47 131.87 51.56 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.239 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . 0.49 ' H ' ' HB3' ' A' ' 625' ' ' ALA . 43.6 p -113.62 177.01 4.78 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 84.9 t80 -57.33 -45.5 84.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.023 0.439 . . . . 0.0 110.228 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -66.24 -41.54 89.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.645 -178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.49 ' HB3' ' H ' ' A' ' 622' ' ' THR . . . -65.29 -36.79 85.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.664 -177.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 80.1 mt -74.75 -38.05 62.33 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.951 0.405 . . . . 0.0 110.701 179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . 0.412 ' HD3' HD11 ' A' ' 659' ' ' ILE . 29.8 ttpp -71.8 -36.04 70.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.042 -179.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 629' ' ' GLU . 10.1 pt-20 -66.23 -43.32 86.96 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.19 -0.204 . . . . 0.0 110.735 -178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 628' ' ' GLU . 8.9 pt-20 -74.18 -28.85 61.49 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.45 -44.69 97.25 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 174.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.38 -36.1 73.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.076 0.465 . . . . 0.0 110.446 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 29.3 mm-40 -66.35 -42.45 88.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.422 179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 81.3 m -64.26 -36.92 85.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.751 177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 630' ' ' GLY . 88.0 t -61.93 -45.98 97.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.808 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -72.92 -24.47 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.058 0.456 . . . . 0.0 110.845 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -77.5 -10.43 59.47 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.435 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 94.5 mttt 71.54 22.15 4.22 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.871 -177.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -104.99 73.15 1.04 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.689 0.757 . . . . 0.0 109.11 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.499 ' CZ ' ' HG3' ' A' ' 669' ' ' LYS . 77.8 m-85 -74.99 -32.05 61.57 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.688 -171.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -58.89 -34.59 71.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.251 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . 0.517 ' O ' ' HG2' ' A' ' 645' ' ' LYS . 6.6 m-20 -86.22 -32.1 21.35 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.589 177.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -59.68 -38.34 81.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.487 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 98.6 mt -52.5 -48.15 66.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.622 175.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . . . . . . . . . 22.2 t -61.91 -42.25 98.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.746 -178.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 641' ' ' ASP . 71.5 mmtt -58.13 -52.18 66.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.326 0.584 . . . . 0.0 110.103 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.402 ' HB3' HG23 ' A' ' 659' ' ' ILE . 36.3 m-85 -67.99 -28.36 67.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.415 -178.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.3 m -65.96 -35.98 82.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.959 0.409 . . . . 0.0 110.335 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -73.01 -30.6 63.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.219 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 73.7 m -62.06 -42.64 99.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.263 174.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.5 -32.13 72.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.271 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.29 -29.56 70.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.37 0.605 . . . . 0.0 110.049 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 31.1 mt -90.36 -47.81 14.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.558 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -146.77 125.64 12.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -176.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -108.78 1.81 21.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.587 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.416 ' C ' HD13 ' A' ' 686' ' ' LEU . 46.8 mmtm -95.44 16.46 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.44 . . . . 0.0 110.949 -177.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -105.53 108.07 19.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.468 178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 15.7 p -67.21 -23.52 65.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.192 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.8 -35.53 80.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.341 . . . . 0.0 110.921 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.412 HD11 ' HD3' ' A' ' 627' ' ' LYS . 48.5 mm -64.5 -53.21 45.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.653 177.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.495 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 63.2 m-85 -59.08 -47.11 86.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.556 -178.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 11.6 p -60.61 -35.16 75.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.276 -178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -75.57 -39.06 58.66 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.756 -0.202 . . . . 0.0 111.117 179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -61.7 -41.44 97.61 Favored 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.593 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -57.83 -46.56 84.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.967 177.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.56 -40.97 84.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.127 0.489 . . . . 0.0 110.29 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.493 ' HA ' ' CD2' ' A' ' 639' ' ' TYR . 84.7 m -65.01 -49.13 71.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.573 177.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 12.2 m-85 -56.11 -41.57 75.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.33 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.2 mt -55.36 -38.02 68.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.511 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.499 ' HG3' ' CZ ' ' A' ' 639' ' ' TYR . 33.4 mmtp -77.28 -23.04 51.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.555 -176.178 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.415 ' HB2' HE21 ' A' ' 672' ' ' GLN . 3.2 mm? -95.48 11.07 34.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.814 0.34 . . . . 0.0 110.341 173.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 68.5 m 64.95 20.98 12.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.623 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 48.1 mt-30 -90.05 65.54 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.323 0.582 . . . . 0.0 109.484 178.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 41.6 m-85 -69.13 -36.33 77.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.367 -172.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.76 -45.62 85.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.486 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.63 -36.66 65.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.341 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.34 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.999 0.428 . . . . 0.0 110.786 178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.7 ttmt -56.43 -48.93 75.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.71 177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -68.14 -38.42 82.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.496 -175.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -64.78 -43.36 93.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.822 179.261 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.02 -35.82 79.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.997 0.427 . . . . 0.0 110.122 176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 16.1 t70 -63.89 -48.72 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.305 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 13.3 mm100 -60.13 -35.26 74.89 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.942 176.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -64.5 -36.22 83.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.747 177.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 72.6 mt -75.13 -29.63 60.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.085 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 72.5 mm-40 -60.63 -35.36 75.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.298 0.57 . . . . 0.0 109.766 174.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 655' ' ' LYS . 30.5 mt -88.46 -38.47 14.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.101 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.78 104.14 7.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -83.58 88.92 7.03 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.231 0.539 . . . . 0.0 110.076 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 135.77 20.09 0.7 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.762 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -86.74 107.13 18.11 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 717' ' ' VAL . 50.2 t -58.42 -41.46 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.609 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.12 -36.4 77.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.17 -44.49 68.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -178.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -64.57 -51.9 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.475 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 77.9 t80 -59.52 -41.63 90.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.329 -175.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -80.41 -25.71 38.88 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.565 -176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -71.31 -36.37 71.58 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 172.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -60.87 -43.65 98.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.496 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 92.2 mt -64.94 -37.35 87.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 177.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -63.31 -50.88 68.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.492 177.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.507 ' CE1' ' HE2' ' A' ' 677' ' ' LYS . 49.3 m-70 -61.06 -39.04 88.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.922 177.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.71 -38.64 72.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.817 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.76 -29.77 58.86 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.527 178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 68.4 mt -87.59 7.84 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.64 0.257 . . . . 0.0 110.99 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt 65.42 33.62 8.73 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.474 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 709' ' ' LYS . 42.4 m-80 -106.62 65.91 0.68 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -70.99 -32.03 68.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.933 -171.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.484 ' O ' HG13 ' A' ' 712' ' ' ILE . 7.3 tp-100 -66.28 -40.04 89.82 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.161 0.505 . . . . 0.0 109.667 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . 0.427 ' CG ' ' HB3' ' A' ' 706' ' ' ASN . 29.0 mmtp -69.3 -41.47 76.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.01 -179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.0 t -62.02 -42.83 99.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.116 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.13 -34.38 71.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.496 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 708' ' ' GLN . 64.6 mt -62.81 -35.85 72.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.012 0.434 . . . . 0.0 110.474 178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 717' ' ' VAL . 63.9 m-20 -81.51 -36.52 29.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.573 ' O ' HG12 ' A' ' 718' ' ' ILE . 97.0 mt -66.36 -48.13 71.18 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.526 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.42 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 34.1 m-80 -61.9 -31.24 71.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.719 176.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.634 ' O ' HD22 ' A' ' 720' ' ' LEU . 17.7 tptm -66.08 -45.16 82.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.355 176.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.729 HG13 HG13 ' A' ' 691' ' ' VAL . 71.4 t -55.72 -38.6 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.764 0.316 . . . . 0.0 110.704 175.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.573 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.8 mm -62.04 -25.02 36.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.628 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 50.0 mt -75.57 -55.53 5.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.738 178.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.634 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.7 OUTLIER -57.52 -59.02 5.79 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.377 0.608 . . . . 0.0 111.256 176.015 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.36 95.08 8.31 Favored Pre-proline 0 C--N 1.318 -0.783 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.193 -176.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -79.12 8.41 3.85 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.032 2.488 . . . . 0.0 112.729 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 5.4 t -96.01 -7.54 36.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.423 0.63 . . . . 0.0 109.583 -175.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.459 HG22 ' H ' ' A' ' 727' ' ' ALA . 21.4 mt -74.06 108.15 5.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.882 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.447 ' O ' ' HG2' ' A' ' 729' ' ' MET . 50.6 mm -60.68 -38.67 79.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.333 -179.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -56.88 -45.88 82.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.9 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -66.96 -33.75 76.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.808 -178.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -72.99 -27.81 62.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.318 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . 0.447 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.9 mmt -86.41 -22.65 26.46 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -77.95 -52.13 9.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.626 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -65.2 -25.3 67.64 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.466 -0.494 . . . . 0.0 111.108 -173.341 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.506 ' N ' HD13 ' A' ' 731' ' ' LEU . 6.2 pt-20 -72.46 -36.67 68.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.969 0.414 . . . . 0.0 109.956 177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.492 ' CD ' HH21 ' A' ' 736' ' ' ARG . 8.8 tp10 -79.68 -43.64 22.33 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.411 -177.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.539 ' HA ' HD12 ' A' ' 737' ' ' LEU . 94.0 t -60.88 -32.56 52.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.047 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 -34.51 78.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.061 0.458 . . . . 0.0 110.528 174.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.587 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 55.7 mtm-85 -79.73 -37.49 35.44 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 -177.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 734' ' ' VAL . 83.4 mt -60.84 -43.18 98.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.424 174.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.92 -33.35 75.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.763 177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -81.54 -18.97 43.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.726 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 45.7 mt -78.38 158.22 28.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.202 0.525 . . . . 0.0 111.36 -178.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -101.86 -11.81 18.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.846 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 38.7 t70 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.381 177.739 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.847 -0.501 . . . . 0.0 111.847 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -57.87 -46.51 25.79 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.714 2.276 . . . . 0.0 112.1 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -93.87 75.98 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.433 0.635 . . . . 0.0 110.015 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 1.6 mmt -113.9 128.87 56.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.709 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 41.1 p -104.44 173.19 6.41 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.768 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.86 -42.55 93.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.159 0.505 . . . . 0.0 110.082 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -64.57 -54.86 25.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.513 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -56.77 -46.56 81.39 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.331 0.395 . . . . 0.0 111.319 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 70.0 mt -62.44 -44.95 95.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.18 -44.83 71.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.164 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -71.57 -31.33 66.86 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.43 -174.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -76.7 -38.39 54.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.753 0.311 . . . . 0.0 110.244 174.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -62.13 -33.15 84.89 Favored Glycine 0 N--CA 1.454 -0.141 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.048 175.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 110.941 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.1 -29.62 61.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.546 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 64.9 m -61.5 -39.46 91.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 172.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.45 -42.75 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -66.28 -34.18 77.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -82.29 -5.75 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.308 0.575 . . . . 0.0 110.851 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 65.5 mttm 65.76 35.14 6.99 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.174 -178.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -106.22 65.03 0.68 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.496 ' CE1' ' HG2' ' A' ' 669' ' ' LYS . 78.1 m-85 -69.62 -27.8 65.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.188 -170.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 670' ' ' LEU . 54.0 mttm -60.54 -36.63 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.155 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -81.88 -38.41 25.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.313 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -54.61 -36.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.209 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.504 HD11 HD12 ' A' ' 670' ' ' LEU . 78.8 mt -52.77 -48.78 66.55 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 176.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 23.0 t -64.29 -43.38 94.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.472 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -59.82 -48.37 81.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.784 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' ' 659' ' ' ILE . 32.0 m-85 -69.65 -29.96 67.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.248 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.1 m -69.79 -28.6 65.88 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.926 0.393 . . . . 0.0 110.29 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 644' ' ' SER . 21.2 mm-40 -69.13 -36.54 77.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.803 173.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . . . . . . . . . 77.0 m -63.01 -40.03 96.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.72 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.5 mt -58.24 -37.97 75.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.084 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -61.03 -24.28 66.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.226 0.536 . . . . 0.0 110.763 -179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 29.9 mt -92.65 -41.08 12.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.349 177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -152.85 113.75 4.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.434 -178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -96.65 6.03 49.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.94 0.4 . . . . 0.0 110.398 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . 0.421 ' C ' HD13 ' A' ' 686' ' ' LEU . 47.8 mmtm -92.77 -0.34 57.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.912 0.387 . . . . 0.0 110.727 -178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -94.56 112.5 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.182 0.515 . . . . 0.0 111.063 -178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 6.0 p -66.72 -28.78 68.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.633 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.31 79.26 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.827 0.346 . . . . 0.0 111.011 -178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 646' ' ' TYR . 50.3 mm -61.87 -48.78 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.461 ' HB2' ' HB2' ' A' ' 683' ' ' ALA . 77.9 m-85 -60.51 -44.52 95.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.179 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 48.7 p -64.99 -31.85 73.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.94 0.4 . . . . 0.0 111.41 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -78.75 -36.39 43.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.708 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.4 mtm180 -65.2 -41.59 94.38 Favored 'General case' 0 CA--C 1.52 -0.18 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.651 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.78 -45.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.249 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 59.1 tp -57.64 -40.28 78.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.092 0.472 . . . . 0.0 110.644 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 60.7 m -68.73 -41.45 78.96 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.552 178.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -61.24 -40.9 95.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.214 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 90.8 mt -57.37 -44.23 84.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.056 0.455 . . . . 0.0 110.757 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.496 ' HG2' ' CE1' ' A' ' 639' ' ' TYR . 14.2 mptt -70.02 -24.85 63.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.832 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 643' ' ' LEU . 32.0 mt -96.55 12.94 29.8 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.807 -0.357 . . . . 0.0 111.254 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 66.8 m 62.87 28.67 16.47 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.073 0.463 . . . . 0.0 111.372 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -110.11 60.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.672 0.748 . . . . 0.0 109.659 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -66.29 -35.25 79.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.052 -173.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -61.62 -38.68 88.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.511 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -77.26 -35.37 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.476 177.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.58 -44.64 93.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.603 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.404 ' HE2' ' CE1' ' A' ' 701' ' ' HIS . 24.1 ttmt -54.58 -47.64 73.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.627 177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.94 -42.15 97.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.374 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.923 0.392 . . . . 0.0 110.8 178.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 696' ' ' ARG . 62.0 m -63.68 -40.33 96.55 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 35.7 t70 -65.62 -39.44 91.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.059 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.546 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 0.0 OUTLIER -63.78 -37.38 87.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.582 175.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . 0.461 ' HB2' ' HB2' ' A' ' 660' ' ' TYR . . . -64.97 -38.18 90.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 177.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 66.2 mt -70.74 -28.19 64.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.351 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 25.4 mt-30 -64.36 -36.01 82.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.185 0.516 . . . . 0.0 109.876 174.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 22.3 mt -81.33 -44.71 17.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.173 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -130.35 104.04 7.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.638 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -84.71 92.57 8.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.395 0.617 . . . . 0.0 109.901 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 138.09 15.13 0.71 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.186 -176.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -84.84 109.55 18.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.241 0.543 . . . . 0.0 109.597 -177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.852 HG13 HG13 ' A' ' 717' ' ' VAL . 98.5 t -55.5 -42.28 67.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.702 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 67.6 mttm -62.01 -39.58 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.507 -178.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.14 83.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.793 -177.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -64.07 -47.82 78.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.0 110.208 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.672 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 53.6 t80 -61.36 -45.93 92.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.127 -176.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 28.3 mmt180 -65.41 -39.17 91.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.476 0.179 . . . . 0.0 110.855 -178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.414 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 47.3 ttp180 -68.34 -39.67 81.84 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.481 -179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.2 86.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.685 174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 78.3 mt -66.46 -38.28 87.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 177.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -63.03 -50.44 70.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.532 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 706' ' ' ASN . 67.8 m-70 -59.59 -38.2 80.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.958 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 6.2 ttmm -57.38 -41.76 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.379 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -75.66 -22.65 74.62 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 56.3 mt -94.15 10.57 33.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.981 0.42 . . . . 0.0 110.246 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 95.0 mttt 58.09 34.17 23.92 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.371 -0.832 . . . . 0.0 111.149 -178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . 0.438 ' O ' ' HB3' ' A' ' 701' ' ' HIS . 92.3 m-20 -105.17 67.66 0.79 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.314 174.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.423 -168.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.64 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -66.07 -36.64 83.74 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 177.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -70.11 -40.47 74.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.498 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.5 t -63.41 -42.41 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.982 178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 45.9 mt -57.92 -34.97 70.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.442 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 708' ' ' GLN . 79.7 mt -58.69 -46.55 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 110.608 177.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.456 ' O ' HG23 ' A' ' 717' ' ' VAL . 68.3 m-20 -76.53 -32.65 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.135 -177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.587 ' O ' HG12 ' A' ' 718' ' ' ILE . 95.9 mt -67.61 -48.4 66.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.746 0.308 . . . . 0.0 110.512 178.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.414 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 25.5 m-80 -60.82 -26.87 67.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.637 175.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.609 ' O ' HD22 ' A' ' 720' ' ' LEU . 15.2 tptm -72.47 -44.89 61.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.476 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.852 HG13 HG13 ' A' ' 691' ' ' VAL . 72.4 t -57.05 -37.85 57.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.874 0.369 . . . . 0.0 110.794 176.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.587 HG12 ' O ' ' A' ' 714' ' ' LEU . 43.2 mm -62.65 -25.39 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.623 178.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 46.6 mt -73.43 -58.58 3.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.687 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.609 HD22 ' O ' ' A' ' 716' ' ' LYS . 0.4 OUTLIER -58.61 -59.1 5.92 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.379 0.609 . . . . 0.0 111.29 177.319 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -130.24 89.75 43.89 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.987 -174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -76.97 3.93 6.18 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.048 2.499 . . . . 0.0 113.395 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.3 m -99.24 -0.11 42.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.058 0.456 . . . . 0.0 110.68 -175.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 727' ' ' ALA . 18.0 mt -80.68 102.74 6.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.161 0.505 . . . . 0.0 110.021 178.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.451 ' O ' ' HG2' ' A' ' 729' ' ' MET . 48.5 mm -60.5 -38.01 76.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.638 -178.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 730' ' ' GLU . 11.0 mm-40 -57.05 -41.47 78.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.837 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.482 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -69.91 -32.24 70.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.722 -179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -71.21 -27.36 63.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.29 0.567 . . . . 0.0 110.079 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . 0.451 ' HG2' ' O ' ' A' ' 725' ' ' ILE . 25.6 mmt -85.81 -25.16 26.47 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.433 178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' A' ' 726' ' ' GLU . 18.0 mm-40 -75.01 -49.23 20.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.797 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 714' ' ' LEU . 1.3 pt? -67.57 -26.29 66.22 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.884 -175.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -75.94 -37.31 58.8 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.468 -0.493 . . . . 0.0 109.731 175.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.476 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 31.2 tt0 -66.64 -50.62 62.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 737' ' ' LEU . 83.3 t -61.94 -30.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.214 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 88.8 m -64.08 -38.68 91.96 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.258 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.496 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 58.2 mtm-85 -75.64 -29.67 59.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.302 0.572 . . . . 0.0 109.699 -177.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 734' ' ' VAL . 79.1 mt -69.64 -37.94 76.98 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.91 174.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.06 -31.87 70.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.395 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.87 -28.43 68.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.547 176.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 70.5 mt -70.15 160.49 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -103.17 -29.55 11.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.023 -173.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.459 179.463 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.809 -0.516 . . . . 0.0 111.809 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.56 -18.19 17.75 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.604 2.203 . . . . 0.0 112.899 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 46.3 m80 -109.49 -46.71 3.49 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.089 -0.244 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 80.1 mtp -67.93 133.59 49.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.077 0.465 . . . . 0.0 109.753 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 52.6 p -87.89 173.78 8.73 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.697 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 89.0 t80 -55.59 -42.94 75.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.994 0.426 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -64.67 -43.11 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.125 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -63.0 -45.88 90.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.781 0.324 . . . . 0.0 110.512 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.69 -44.77 95.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.471 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -61.68 -48.67 79.75 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.513 . . . . 0.0 110.694 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.41 -21.71 48.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.328 -170.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.03 -32.0 44.85 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -65.0 -35.98 92.53 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.5 174.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.87 -41.14 86.36 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.931 0.396 . . . . 0.0 110.156 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -65.15 -38.18 89.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.717 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 65.8 m -62.18 -48.92 77.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.427 177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 80.4 t -60.39 -40.44 84.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.89 0.376 . . . . 0.0 110.679 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -65.31 -33.47 76.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.659 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.45 -0.76 47.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.741 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp 67.31 28.98 7.77 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.67 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 641' ' ' ASP . 47.4 t30 -104.12 76.9 1.38 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.058 176.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.496 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 49.4 m-85 -77.89 -34.62 51.45 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.297 -170.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -62.41 -35.05 78.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.77 -176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . 0.437 ' HB2' ' ND2' ' A' ' 638' ' ' ASN . 1.1 m-20 -89.25 -25.25 21.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.665 0.269 . . . . 0.0 110.672 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.92 89.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.911 0.386 . . . . 0.0 110.224 175.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 90.8 mt -54.16 -45.7 72.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.539 175.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . 0.442 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 14.9 m -63.87 -40.0 95.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.801 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -60.5 -48.25 82.57 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.164 0.507 . . . . 0.0 110.559 177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -70.29 -26.6 63.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.209 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 19.2 t -68.5 -33.87 74.9 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 175.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 644' ' ' SER . 9.5 mm-40 -64.1 -34.89 79.07 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.976 174.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.512 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 61.1 m -66.45 -38.57 87.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.723 178.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.73 -11.03 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.273 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -75.69 -31.73 59.84 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.988 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 50.3 mt -98.15 -53.07 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.094 -175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.482 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 8.8 t30 -140.58 110.35 6.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.447 . . . . 0.0 111.633 -171.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -102.61 20.22 17.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.864 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -95.72 -11.31 27.24 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-O 121.568 0.699 . . . . 0.0 110.268 178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . 0.422 ' CG ' HG12 ' A' ' 659' ' ' ILE . 9.3 tp10 -85.68 98.24 10.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.657 -177.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 26.1 p -61.12 -25.12 66.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.308 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.4 71.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.428 179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.422 HG12 ' CG ' ' A' ' 656' ' ' GLU . 48.0 mm -65.47 -45.59 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.19 0.519 . . . . 0.0 109.663 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 97.3 m-85 -64.95 -44.68 88.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.854 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 32.4 p -65.39 -33.36 75.78 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.703 0.287 . . . . 0.0 110.987 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -72.65 -39.37 67.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.863 176.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -64.49 -46.67 81.98 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.625 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.54 -42.3 78.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.704 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.39 -46.98 79.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.788 176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 639' ' ' TYR . 75.3 m -65.68 -45.02 84.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -56.26 -33.62 65.64 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.655 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 94.2 mt -58.8 -33.64 70.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.166 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 669' ' ' LYS . 0.4 OUTLIER -83.45 -29.33 28.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.125 -177.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.58 7.74 25.02 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.095 176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 22.5 t 64.81 23.97 12.75 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 121.375 0.607 . . . . 0.0 110.876 178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -100.89 55.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.526 0.679 . . . . 0.0 109.794 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -62.68 -31.33 72.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.526 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.93 -38.95 76.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.837 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -83.73 -33.28 25.12 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.675 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.69 82.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.958 0.408 . . . . 0.0 110.736 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -56.22 -44.8 79.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.725 177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -74.14 -39.72 63.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.297 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.4 OUTLIER -61.58 -44.64 96.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.806 176.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 78.7 m -60.54 -34.61 74.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.574 ' O ' ' HG2' ' A' ' 685' ' ' GLN . 27.4 t70 -67.03 -48.84 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.47 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 16.8 mm100 -59.69 -34.16 72.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 178.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.41 -44.42 96.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.629 175.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 50.4 mt -72.74 -26.14 61.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.58 -179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 681' ' ' ASP . 80.6 mm-40 -65.42 -37.25 86.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.055 0.455 . . . . 0.0 110.236 174.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 40.3 mt -80.31 -42.63 22.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.343 179.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.65 103.79 7.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.315 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.46 89.78 4.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.374 0.607 . . . . 0.0 110.214 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 136.59 32.57 0.25 Allowed Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.861 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -93.61 106.91 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.625 HG13 HG13 ' A' ' 717' ' ' VAL . 61.5 t -58.64 -37.5 65.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.556 -176.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -60.15 -36.64 78.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -70.7 -42.92 70.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.297 -178.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.405 ' CE2' ' HG2' ' A' ' 716' ' ' LYS . 67.3 m-85 -65.74 -49.77 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.074 0.464 . . . . 0.0 110.381 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.511 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 85.7 t80 -60.1 -41.01 91.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.309 -176.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.39 -22.88 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 121.064 -0.254 . . . . 0.0 111.593 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.468 ' HD2' ' OD2' ' A' ' 713' ' ' ASP . 23.2 ttm180 -70.15 -39.33 75.43 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 170.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.34 91.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.4 174.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 94.9 mt -65.08 -37.03 86.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.512 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -64.42 -51.04 65.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.617 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -61.79 -38.99 90.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.599 177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -57.18 -41.0 78.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.431 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -71.91 -24.76 76.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.331 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 53.7 mt -94.09 10.35 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.18 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 60.28 28.13 17.71 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.325 -178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -96.35 70.42 2.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 174.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 737' ' ' LEU . 27.0 m-85 -77.32 -28.46 53.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.271 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.651 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -67.3 -39.4 85.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm -68.94 -47.09 66.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.668 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 30.7 t -59.35 -42.3 91.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.562 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 32.6 mt -57.41 -34.62 69.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.475 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 70.7 mt -60.59 -42.79 92.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.994 0.426 . . . . 0.0 110.302 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.468 ' OD2' ' HD2' ' A' ' 697' ' ' ARG . 25.6 m-20 -77.34 -33.62 55.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' ' 731' ' ' LEU . 98.9 mt -68.31 -47.04 68.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.583 179.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.544 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 42.2 m-80 -62.16 -29.83 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.656 176.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.405 ' HG2' ' CE2' ' A' ' 694' ' ' PHE . 13.4 tppt? -66.77 -43.94 82.69 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 176.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.625 HG13 HG13 ' A' ' 691' ' ' VAL . 80.5 t -58.23 -36.15 56.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.379 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 714' ' ' LEU . 46.2 mm -65.4 -29.34 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.227 0.537 . . . . 0.0 110.662 178.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 57.6 mt -76.73 -39.85 50.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.293 0.568 . . . . 0.0 110.504 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 80.1 mt -76.86 -44.82 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.687 -178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -145.77 94.05 5.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.028 0.442 . . . . 0.0 110.013 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.25 3.92 5.32 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 122.981 2.454 . . . . 0.0 113.309 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 35.7 m -98.73 -1.54 40.3 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.94 0.4 . . . . 0.0 110.536 -177.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.495 HG22 ' H ' ' A' ' 727' ' ' ALA . 17.4 mt -78.87 99.67 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.502 . . . . 0.0 110.082 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.71 -35.0 64.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.457 -178.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -55.79 -42.84 76.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.822 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.495 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -71.3 -33.2 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.707 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -69.4 -30.36 68.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.3 0.571 . . . . 0.0 110.068 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.5 mmt -86.03 -25.76 25.75 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.152 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -80.13 -44.66 19.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.548 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.4 OUTLIER -68.07 -26.7 65.98 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.765 -176.504 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 733' ' ' GLU . 7.4 pt-20 -73.31 -37.9 66.03 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' A' ' 737' ' ' LEU . 6.9 tp10 -66.05 -51.19 60.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.826 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 737' ' ' LEU . 89.3 t -62.39 -33.63 60.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.522 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 96.2 m -63.47 -37.22 86.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 0.0 110.566 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.638 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 31.9 mtm180 -77.82 -38.77 45.64 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 734' ' ' VAL . 91.4 mt -58.36 -42.52 87.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.7 174.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.06 -30.84 71.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.834 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.15 -2.19 57.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.467 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 90.0 mt -87.57 -169.67 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.574 176.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.07 -64.73 1.12 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.046 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.86 -0.591 . . . . 0.0 110.712 -175.553 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.932 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.64 -36.08 88.59 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.82 2.347 . . . . 0.0 111.774 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 621' ' ' MET . 48.4 t-80 -115.51 112.96 23.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . 0.482 ' HE2' HD23 ' A' ' 626' ' ' LEU . 81.1 mtp 71.81 113.01 0.06 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 124.028 0.83 . . . . 0.0 111.038 -174.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 45.0 p -88.93 -178.05 5.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.823 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.48 ' CE2' ' HB3' ' A' ' 649' ' ' CYS . 73.6 t80 -55.82 -44.63 78.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.24 0.543 . . . . 0.0 110.056 176.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . 0.539 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 59.9 mttp -71.57 -41.27 69.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.784 -176.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.8 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.962 0.41 . . . . 0.0 110.629 177.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . 0.482 HD23 ' HE2' ' A' ' 621' ' ' MET . 33.1 mt -60.17 -41.27 92.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.701 175.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -64.52 -49.32 71.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.42 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 46.6 mt-10 -60.0 -52.61 64.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.419 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -68.41 -29.87 68.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.656 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . 0.418 ' O ' HG23 ' A' ' 634' ' ' VAL . . . -62.45 -41.92 99.74 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.47 -40.14 85.96 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 121.054 0.454 . . . . 0.0 110.128 174.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 628' ' ' GLU . 28.3 mm-40 -62.53 -39.14 92.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 66.0 m -64.98 -41.48 95.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.303 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 630' ' ' GLY . 92.3 t -59.9 -47.47 91.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.756 177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -67.32 -31.86 72.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.073 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -81.07 3.81 22.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.298 0.571 . . . . 0.0 110.496 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm 62.28 29.34 17.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.302 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -108.65 73.03 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.65 0.738 . . . . 0.0 109.073 176.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.534 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 74.2 m-85 -74.63 -23.09 58.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.516 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -59.31 -45.92 89.99 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.773 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -75.59 -36.22 60.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.054 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.43 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.658 178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 95.8 mt -52.18 -50.91 60.92 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.537 175.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . 0.412 ' O ' ' HG3' ' A' ' 648' ' ' GLU . 12.9 m -64.02 -46.05 86.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.879 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.2 -46.49 90.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.519 -178.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 662' ' ' ASN . 27.3 m-85 -67.71 -31.96 72.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.947 0.403 . . . . 0.0 110.79 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . 0.425 ' O ' ' HG3' ' A' ' 651' ' ' LYS . 53.5 m -71.38 -23.61 61.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.11 0.481 . . . . 0.0 110.437 177.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 644' ' ' SER . 45.1 mt-10 -76.45 -28.41 56.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.063 173.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.48 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 84.1 m -65.61 -45.24 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.163 174.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.76 -28.46 68.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.313 -179.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 647' ' ' SER . 65.3 mttp -61.86 -26.55 68.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.111 0.481 . . . . 0.0 110.605 176.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 27.7 mt -98.29 -46.74 12.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.778 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.472 ' HB3' ' CE2' ' A' ' 623' ' ' PHE . 34.2 t30 -142.16 122.91 14.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.614 -178.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -105.21 6.48 33.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.192 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -100.42 16.43 24.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.999 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -105.9 98.35 8.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.056 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . 0.477 ' HB2' ' HB1' ' A' ' 683' ' ' ALA . 29.8 p -59.89 -25.99 65.54 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.668 0.271 . . . . 0.0 111.703 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -62.89 -28.79 70.29 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.568 179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . . . . . . . . . 49.0 mm -71.18 -44.09 74.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.829 0.347 . . . . 0.0 110.153 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . 0.473 ' HB3' ' O ' ' A' ' 679' ' ' ASP . 59.5 m-85 -63.29 -44.64 94.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.17 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . . . . . . . . . 21.5 p -66.07 -32.66 74.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.841 0.353 . . . . 0.0 111.234 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . 0.414 ' HB3' ' CE1' ' A' ' 646' ' ' TYR . 75.5 m-20 -74.59 -38.59 62.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.074 177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 -64.09 -42.64 96.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.691 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -56.6 -45.7 81.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.697 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 62.9 tp -56.42 -42.16 77.55 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.59 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 65.9 m -68.03 -46.82 70.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.669 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 672' ' ' GLN . 17.8 m-85 -56.36 -38.23 71.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.458 179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 93.6 mt -56.4 -36.12 68.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.966 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -75.9 -37.4 58.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.996 -177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.74 14.68 3.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.593 0.235 . . . . 0.0 111.155 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 9.8 t 66.17 21.04 11.16 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.066 174.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' A' ' 667' ' ' TYR . 76.1 mt-30 -100.79 65.77 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.401 0.62 . . . . 0.0 109.941 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' A' ' 700' ' ' ALA . 65.2 m-85 -69.42 -32.18 70.99 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.954 -175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.53 -42.58 78.26 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . 0.56 ' HA ' ' NE2' ' A' ' 678' ' ' GLN . 11.6 mm-40 -66.52 -39.8 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.149 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 667' ' ' TYR . . . -60.58 -43.38 97.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.194 178.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -57.74 -42.39 83.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.015 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' A' ' 675' ' ' GLU . 37.0 mt-30 -59.28 -46.47 88.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.995 179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . 0.473 ' O ' ' HB3' ' A' ' 660' ' ' TYR . 0.6 OUTLIER -63.2 -38.38 90.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 178.344 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . . . . . . . . . 62.1 m -57.37 -49.25 76.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.09 176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -65.17 -33.47 76.08 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.563 -178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -60.57 -27.39 67.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.211 175.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 657' ' ' CYS . . . -80.88 -26.93 36.53 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.286 0.565 . . . . 0.0 109.763 -176.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . 0.543 HD11 ' CZ ' ' A' ' 694' ' ' PHE . 4.5 mm? -73.34 -31.5 64.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.558 178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -63.62 -34.93 78.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.136 177.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . . . . . . . . . 40.0 mt -84.59 -44.54 13.42 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.424 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -129.76 104.34 7.35 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.573 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -77.87 90.57 4.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.182 0.515 . . . . 0.0 110.158 179.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 131.46 21.57 1.03 Allowed Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.09 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -80.59 105.5 11.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.863 0.363 . . . . 0.0 110.27 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 717' ' ' VAL . 87.3 t -58.25 -38.17 67.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.229 -178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 696' ' ' ARG . 76.0 mmtt -56.65 -35.42 68.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.441 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -77.59 -38.13 48.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.456 -176.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . 0.543 ' CZ ' HD11 ' A' ' 684' ' ' LEU . 60.7 m-85 -66.44 -40.57 89.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.033 0.444 . . . . 0.0 110.035 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.543 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 60.1 t80 -60.94 -43.59 98.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.5 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 692' ' ' LYS . 24.8 mmt180 -66.17 -46.05 78.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.757 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.486 ' HD2' ' OD1' ' A' ' 713' ' ' ASP . 19.2 ttm180 -58.57 -41.64 86.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.75 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -58.6 -49.85 75.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.848 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 80.0 mt -62.42 -37.55 86.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.229 0.537 . . . . 0.0 110.209 178.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 673' ' ' PHE . . . -68.7 -27.43 65.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.439 179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -80.75 -39.84 26.25 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.123 -0.36 . . . . 0.0 110.128 173.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.832 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -68.55 -20.81 74.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.947 -0.645 . . . . 0.0 112.851 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 60.3 mt -94.93 6.6 48.57 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 99.0 mttt 64.33 28.35 13.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.021 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -98.7 64.72 1.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 175.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -73.12 -30.83 63.91 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.491 -171.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -65.07 -32.18 73.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.627 177.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -81.83 -42.3 19.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.789 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.3 t -61.3 -40.58 94.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.233 -177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 44.7 mt -58.3 -32.69 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.448 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . . . . . . . . . 71.0 mt -64.33 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.974 0.416 . . . . 0.0 110.428 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.486 ' OD1' ' HD2' ' A' ' 697' ' ' ARG . 38.4 m-20 -79.38 -36.11 39.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.523 ' O ' HG12 ' A' ' 718' ' ' ILE . 93.7 mt -64.36 -46.57 82.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.246 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.641 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 19.0 m-80 -60.13 -38.72 83.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.87 175.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 1.2 tppm? -58.89 -42.86 90.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.289 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.565 HG13 HG13 ' A' ' 691' ' ' VAL . 74.2 t -59.57 -41.84 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.636 175.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 714' ' ' LEU . 45.4 mm -64.0 -33.26 61.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.169 0.509 . . . . 0.0 110.746 179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 64.8 mt -73.96 -39.85 63.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.0 mt -77.03 -47.12 21.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.712 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -142.92 88.72 8.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.005 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.6 5.54 4.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.844 2.363 . . . . 0.0 113.299 -176.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 22.3 m -96.93 -0.06 48.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.222 0.534 . . . . 0.0 110.206 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 727' ' ' ALA . 19.7 mt -82.27 106.25 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.398 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.25 -33.91 66.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.558 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -53.57 -49.36 67.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.74 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.418 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.7 -29.41 67.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.03 -178.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -72.48 -30.05 64.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 0.0 110.34 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . . . . . . . . . 25.6 mmt -86.48 -28.62 23.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -77.19 -47.2 20.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.886 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 732' ' ' GLU . 0.0 OUTLIER -66.99 -25.46 66.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 120.211 -0.596 . . . . 0.0 110.863 -174.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.604 ' N ' HD13 ' A' ' 731' ' ' LEU . 9.0 pt-20 -77.09 -29.85 55.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.213 0.53 . . . . 0.0 109.71 178.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -80.18 -46.22 16.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.094 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.669 ' HA ' HD12 ' A' ' 737' ' ' LEU . 79.0 t -59.94 -34.2 55.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.224 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . . . . . . . . . 52.9 m -66.26 -35.31 80.08 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.525 176.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . 0.628 ' O ' ' HG ' ' A' ' 740' ' ' LEU . 50.9 mtm180 -72.05 -41.15 67.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.669 HD12 ' HA ' ' A' ' 734' ' ' VAL . 49.3 mt -59.32 -40.3 85.84 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.878 -1.056 . . . . 0.0 110.752 175.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.1 tp -67.4 -35.08 78.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.086 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.9 -11.01 59.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 111.342 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 736' ' ' ARG . 89.0 mt -76.17 171.21 14.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.773 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -74.66 -50.0 19.3 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.927 0.394 . . . . 0.0 110.196 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.325 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.61 137.92 28.47 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.666 2.244 . . . . 0.0 112.52 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -98.54 130.47 45.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.069 0.461 . . . . 0.0 110.204 178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' MET . . . . . . . . . . . . . 90.3 mmm -109.06 135.1 50.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.57 -177.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' THR . . . . . . . . . . . . . 40.3 p -113.68 171.4 7.6 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.691 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 649' ' ' CYS . 84.2 t80 -58.07 -46.03 86.13 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 628' ' ' GLU . 30.1 mtpp -61.31 -46.83 88.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.14 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' ALA . . . . . 0.486 ' O ' ' HG2' ' A' ' 629' ' ' GLU . . . -59.09 -49.32 78.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.13 -178.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.68 -41.38 88.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.111 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -58.91 -41.09 86.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.907 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 624' ' ' LYS . 38.8 mt-10 -73.34 -48.4 34.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.694 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 625' ' ' ALA . 11.1 pt-20 -70.54 -26.59 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.841 -177.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' GLY . . . . . . . . . . . . . . . -58.6 -37.12 88.33 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.72 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.74 -34.99 79.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.108 0.48 . . . . 0.0 110.295 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -65.56 -40.77 93.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.307 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' CYS . . . . . . . . . . . . . 60.3 m -60.38 -40.44 90.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.784 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 84.3 t -63.21 -42.49 96.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.002 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -73.89 -24.43 59.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.023 0.44 . . . . 0.0 110.712 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -75.98 -7.07 53.76 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.028 175.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 67.27 25.55 8.8 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.391 -175.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -107.88 69.46 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.113 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' TYR . . . . . 0.486 ' O ' ' HG ' ' A' ' 643' ' ' LEU . 91.2 m-85 -70.64 -30.83 67.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.972 -172.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -66.39 -25.87 66.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -86.66 -36.24 18.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.893 0.377 . . . . 0.0 110.127 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' ALA . . . . . . . . . . . . . . . -57.09 -36.58 70.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.296 175.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 639' ' ' TYR . 92.8 mt -54.02 -50.89 65.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.417 173.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 648' ' ' GLU . 7.1 m -58.99 -45.37 90.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.45 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -56.96 -55.92 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.246 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' TYR . . . . . 0.435 ' HB2' ' HG3' ' A' ' 663' ' ' ARG . 24.4 m-85 -67.63 -32.92 73.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.71 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 51.0 m -67.08 -33.13 74.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.813 0.339 . . . . 0.0 110.681 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 644' ' ' SER . 12.3 mm-40 -72.63 -25.19 61.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.265 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' CYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 82.0 m -67.28 -36.8 82.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.99 173.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.99 -11.72 61.08 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 121.466 0.65 . . . . 0.0 111.463 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -76.39 -26.13 55.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 121.343 0.592 . . . . 0.0 109.755 172.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 36.1 mt -99.67 -51.83 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.167 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' ASN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 623' ' ' PHE . 41.0 t30 -139.25 128.77 24.39 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 -174.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -118.88 16.89 13.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.082 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -103.16 10.75 37.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.28 0.562 . . . . 0.0 110.365 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -105.79 100.77 10.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.849 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' CYS . . . . . . . . . . . . . 29.1 p -62.02 -26.11 68.05 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.415 -178.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.24 88.02 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.97 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' ILE . . . . . 0.683 ' O ' ' HB2' ' A' ' 663' ' ' ARG . 49.8 mm -59.0 -34.96 54.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.015 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -74.56 -43.27 56.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.908 0.385 . . . . 0.0 110.913 178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' THR . . . . . 0.461 HG21 HD21 ' A' ' 690' ' ' ASN . 14.9 p -67.54 -38.84 84.76 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -176.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -82.02 -24.49 35.34 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.66 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' ARG . . . . . 0.683 ' HB2' ' O ' ' A' ' 659' ' ' ILE . 4.3 ttp180 -69.0 -41.33 77.92 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ALA . . . . . 0.541 ' O ' ' HG ' ' A' ' 668' ' ' LEU . . . -58.71 -43.67 90.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.912 176.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' LEU . . . . . . . . . . . . . 64.4 tp -57.84 -40.85 81.07 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.04 0.447 . . . . 0.0 110.496 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' CYS . . . . . . . . . . . . . 68.6 m -67.24 -45.4 76.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.37 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -58.28 -37.18 74.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.321 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 664' ' ' ALA . 95.1 mt -60.42 -31.61 70.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.215 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -79.46 -32.06 42.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.191 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.78 16.74 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.65 0.262 . . . . 0.0 110.812 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' CYS . . . . . . . . . . . . . 48.6 t 57.52 39.81 27.55 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.291 0.567 . . . . 0.0 111.382 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -110.4 67.53 0.65 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.338 0.589 . . . . 0.0 109.613 175.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -65.94 -39.75 90.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.612 -175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.96 -37.21 73.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.311 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -72.35 -51.07 22.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.279 177.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' ALA . . . . . . . . . . . . . . . -59.77 -35.6 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.005 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.476 ' HE3' ' CE1' ' A' ' 701' ' ' HIS . 26.4 tttt -68.4 -39.64 81.58 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.707 -176.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -75.03 -33.14 61.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.699 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.26 95.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.729 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' CYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 697' ' ' ARG . 74.3 m -63.33 -31.64 72.84 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 177.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 685' ' ' GLN . 11.5 t70 -65.15 -44.64 87.94 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 174.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' A' ' 686' ' ' LEU . 15.8 mm100 -59.4 -39.76 84.45 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.438 175.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.29 95.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.959 177.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.41 -32.49 71.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.139 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 681' ' ' ASP . 79.4 mt-30 -59.33 -35.13 73.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.241 175.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 682' ' ' GLN . 28.2 mt -88.69 -40.99 12.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.752 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' ALA . . . . . . . . . . . . . . . -125.79 103.18 7.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.081 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.49 95.31 5.12 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.374 175.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' GLY . . . . . . . . . . . . . . . 125.85 19.24 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.06 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' ASN . . . . . 0.461 HD21 HG21 ' A' ' 661' ' ' THR . 45.9 t30 -82.84 105.18 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 178.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 717' ' ' VAL . 97.8 t -60.32 -38.21 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.157 -175.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.0 -32.04 70.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.5 54.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.762 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -64.85 -50.14 67.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.153 0.502 . . . . 0.0 110.344 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' TYR . . . . . 0.53 ' O ' ' HG ' ' A' ' 699' ' ' LEU . 79.9 t80 -59.15 -47.26 85.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.639 -175.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.8 -23.22 49.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.428 -175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' ARG . . . . . 0.407 ' HB2' ' CB ' ' A' ' 680' ' ' CYS . 34.5 ttp180 -72.57 -37.65 68.13 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' ALA . . . . . . . . . . . . . . . -59.17 -39.66 83.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.513 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 695' ' ' TYR . 71.1 mt -65.2 -39.05 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.111 177.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -68.8 -46.36 68.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.705 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' HIS . . . . . 0.476 ' CE1' ' HE3' ' A' ' 677' ' ' LYS . 36.2 m-70 -55.57 -43.94 76.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 176.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -56.13 -44.74 79.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.687 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' GLY . . . . . . . . . . . . . . . -69.26 -21.74 75.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.336 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 69.5 mt -93.75 7.75 43.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.462 . . . . 0.0 110.038 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 62.84 31.31 16.45 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.907 -178.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -100.0 72.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -76.14 -37.28 58.2 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.362 -169.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 708' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 708' ' ' GLN . 0.0 OUTLIER -65.43 -36.9 85.3 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.228 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 709' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.36 -43.0 64.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.804 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 31.2 t -61.49 -40.77 95.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.721 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . 0.407 HD11 ' HA ' ' A' ' 735' ' ' THR . 49.6 mt -61.07 -32.86 72.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.625 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 708' ' ' GLN . 68.4 mt -63.43 -42.25 95.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.89 0.376 . . . . 0.0 110.197 178.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 717' ' ' VAL . 73.7 m-20 -73.36 -39.44 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.541 ' O ' HG12 ' A' ' 718' ' ' ILE . 98.1 mt -65.05 -47.73 76.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . 0.622 ' O ' ' HG ' ' A' ' 719' ' ' LEU . 14.1 m-80 -59.37 -36.73 76.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.683 175.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -62.8 -43.21 99.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.667 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 691' ' ' VAL . 83.7 t -59.97 -37.71 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.254 176.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 714' ' ' LEU . 48.2 mm -64.28 -28.39 44.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.657 177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 715' ' ' ASN . 61.8 mt -78.84 -46.41 18.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.062 0.458 . . . . 0.0 110.114 179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 86.4 mt -73.08 -44.23 60.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.467 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.87 88.64 8.33 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.062 0.458 . . . . 0.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.84 6.87 3.87 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.859 2.373 . . . . 0.0 113.035 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 20.2 m -99.14 -2.0 38.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.997 0.427 . . . . 0.0 110.587 -177.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 727' ' ' ALA . 27.0 mt -80.63 103.69 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 -179.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 729' ' ' MET . 47.4 mm -61.84 -35.48 68.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.421 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -53.55 -46.86 70.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.699 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' ALA . . . . . 0.503 ' H ' HG22 ' A' ' 724' ' ' ILE . . . -68.24 -32.79 73.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.936 -178.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 728' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -67.12 -31.5 71.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.258 0.551 . . . . 0.0 110.192 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 729' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 732' ' ' GLU . 23.8 mmt -86.39 -23.43 26.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.051 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -81.95 -44.77 16.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 731' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 714' ' ' LEU . 0.9 OUTLIER -68.4 -29.64 68.38 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 119.986 -0.685 . . . . 0.0 110.552 -177.758 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 729' ' ' MET . 0.0 OUTLIER -71.02 -27.93 64.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.017 0.437 . . . . 0.0 109.826 178.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 733' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -77.62 -51.85 9.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.406 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 734' ' ' VAL . . . . . 0.513 ' HA ' HD12 ' A' ' 737' ' ' LEU . 77.9 t -62.49 -32.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.453 -176.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 735' ' ' THR . . . . . 0.407 ' HA ' HD11 ' A' ' 711' ' ' LEU . 56.4 m -64.44 -32.07 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 110.387 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 736' ' ' ARG . . . . . . . . . . . . . 48.2 mtm105 -80.98 -31.85 34.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 -178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 737' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 734' ' ' VAL . 87.1 mt -64.72 -45.93 84.45 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.149 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 738' ' ' LEU . . . . . . . . . . . . . 61.6 tp -65.03 -28.55 69.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.369 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -87.08 -3.78 59.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.031 0.444 . . . . 0.0 111.373 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 741' ' ' LYS . 0.1 OUTLIER -103.8 150.77 23.8 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 178.508 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' LYS . . . . . 0.528 ' N ' HD12 ' A' ' 740' ' ' LEU . 14.5 tppt? -70.35 -8.43 50.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -169.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' ASP . . . . . 0.466 ' H ' ' HG ' ' A' ' 740' ' ' LEU . 13.6 t70 . . . . . 0 C--O 1.244 0.809 0 CA-C-O 118.892 -0.575 . . . . 0.0 111.49 179.061 . . . . . . . . 1 1 . 1 stop_ save_