data_2n2h_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n2h _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.228 0.537 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -104.57 114.19 28.25 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.365 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.07 -46.49 4.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.892 0.377 . . . . 0.0 110.744 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 67.2 tp -84.25 134.76 34.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.571 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.97 151.61 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.4 p -72.96 157.95 36.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.081 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.76 -24.37 65.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.878 0.371 . . . . 0.0 110.421 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.72 -55.04 39.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.321 0.581 . . . . 0.0 110.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.17 -44.48 83.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.976 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.65 HG12 ' HD1' ' B' ' 674' ' ' TYR . 67.4 mt -60.29 -51.7 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.497 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 48.2 ttm -65.08 -37.09 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.831 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.5 -42.39 92.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.541 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 3.1 t70 -59.34 -51.32 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.508 HD21 ' HD2' ' B' ' 677' ' ' LYS . 11.1 mp -56.87 -45.16 82.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.687 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 217' ' ' MET . 63.7 mtp180 -56.6 -46.39 80.9 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.928 0.394 . . . . 0.0 110.231 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -45.31 81.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.256 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.594 HD22 HD12 ' B' ' 695' ' ' ILE . 96.7 mt -56.38 -47.53 78.75 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 111.912 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.723 -173.848 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.526 0.679 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.11 -42.39 98.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.588 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -56.72 -46.01 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.407 ' O ' HG11 ' B' ' 623' ' ' VAL . 13.0 tp10 -60.47 -46.91 88.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.579 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.486 ' HA ' HG11 ' B' ' 623' ' ' VAL . 4.4 mm? -71.92 -46.02 59.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 111.307 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.46 -46.14 80.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.853 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.2 t -71.0 -47.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.711 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.486 HG11 ' HA ' ' B' ' 620' ' ' LEU . 12.8 p -66.11 -35.14 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' B' ' 624' ' ' LEU . 2.9 mm? -69.88 -42.84 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.597 0.237 . . . . 0.0 110.66 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.66 -44.57 96.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.134 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.479 HG23 ' HB2' ' B' ' 669' ' ' ALA . 64.2 m -60.74 -42.62 97.71 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.206 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.538 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.72 -56.15 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.401 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.28 -40.94 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.511 0.507 . . . . 0.0 112.038 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.254 0.549 . . . . 0.0 110.646 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.491 ' HA ' HG12 ' B' ' 633' ' ' VAL . 30.9 m -73.31 -33.82 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 627' ' ' ASN . 40.8 mm -58.68 -49.87 81.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 109.915 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -57.36 -55.28 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' B' ' 630' ' ' THR . 8.8 p -64.27 -40.58 89.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.467 ' CB ' HD12 ' B' ' 697' ' ' LEU . 40.0 mt -69.48 -44.04 71.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.24 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.421 ' CD ' HD22 ' B' ' 697' ' ' LEU . 7.9 mm-40 -61.93 -34.37 75.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.789 0.328 . . . . 0.0 110.772 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.97 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 36.5 mm -64.29 -45.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . 0.548 ' HA ' HD12 ' B' ' 641' ' ' LEU . 0.9 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.658 -178.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . 0.499 ' HZ1' ' HB3' ' B' ' 639' ' ' LYS . 0.0 OUTLIER -69.92 -39.6 76.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.918 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.77 -28.84 67.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' B' ' 638' ' ' GLN . 96.6 mt -68.03 -60.06 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 42.3 p 48.2 36.55 6.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.108 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 66.41 91.23 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.78 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.9 mt -96.44 160.76 14.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.138 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.0 m -73.77 172.16 12.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.74 80.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.1 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 47.0 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.61 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.521 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 50.5 mt-30 -74.65 -22.72 58.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.188 0.518 . . . . 0.0 109.993 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.15 -43.31 29.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.934 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.26 -62.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.584 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.84 95.77 8.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 40.9 ttm180 -133.58 154.78 50.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.768 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.31 82.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.121 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -90.96 -51.36 5.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.814 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -116.53 -1.43 12.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.542 0.686 . . . . 0.0 109.255 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 657' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 0.7 OUTLIER -79.63 137.72 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.539 -176.281 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' B' ' 657' ' ' THR . 9.7 mp . . . . . 0 N--CA 1.467 0.388 0 O-C-N 123.788 0.68 . . . . 0.0 110.709 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.7 p . . . . . 0 C--O 1.237 0.401 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.96 -39.12 90.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.904 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.08 -33.38 42.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.423 HG21 HG22 ' B' ' 626' ' ' THR . 54.6 mt -61.88 -50.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.249 0.547 . . . . 0.0 110.755 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -79.21 -34.61 42.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.663 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 44.0 ttt180 -62.46 -49.63 74.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.213 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.39 -45.57 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.912 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.479 ' HB2' HG23 ' B' ' 626' ' ' THR . . . -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.6 HD12 HD13 ' B' ' 673' ' ' ILE . 11.5 tp -75.47 -35.36 60.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.36 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 51.7 mt-30 -68.98 -23.54 64.13 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -73.0 -35.21 66.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.116 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.6 HD13 HD12 ' B' ' 670' ' ' LEU . 25.2 pt -92.97 -36.21 7.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.671 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.65 ' HD1' HG12 ' A' ' 216' ' ' ILE . 27.5 m-85 -116.53 40.07 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.982 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.12 -54.93 0.5 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.46 -34.35 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.508 ' HD2' HD21 ' A' ' 220' ' ' LEU . 71.7 mmtt -116.46 29.07 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.54 -172.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.94 90.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.19 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.66 -38.38 90.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 677' ' ' LYS . 30.8 mm -75.79 -41.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.354 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' B' ' 686' ' ' ARG . 31.1 mm -59.08 -46.18 92.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.52 -41.62 85.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.692 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.16 96.56 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.106 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.652 HD23 HG23 ' B' ' 696' ' ' VAL . 88.8 mt -67.31 -32.32 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.111 0.481 . . . . 0.0 110.881 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.455 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 13.6 mmm180 -87.81 11.41 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.98 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.452 ' HB3' ' HE2' ' B' ' 687' ' ' LYS . 33.6 ttpt -137.76 -62.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.933 0.396 . . . . 0.0 111.196 -172.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -123.16 84.21 51.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.226 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 44.4 Cg_endo -67.0 -41.2 10.32 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.32 2.013 . . . . 0.0 112.752 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 70.7 m -75.57 -5.26 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.157 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 42.5 mt -101.45 -60.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.342 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.582 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -72.52 -50.42 25.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.519 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 73.6 t -52.35 -51.94 67.7 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 58.8 Cg_exo -53.71 -42.94 62.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.762 1.641 . . . . 0.0 112.52 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.6 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 36.7 mt -70.97 -55.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.652 HG23 HD23 ' B' ' 685' ' ' LEU . 31.4 m -58.74 -37.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.6 ' O ' ' HG2' ' B' ' 701' ' ' LYS . 49.7 tp -64.87 -43.82 91.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.635 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -63.14 -38.74 92.39 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.603 0.239 . . . . 0.0 111.006 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 29.2 mmt180 -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.648 0.737 . . . . 0.0 109.143 174.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.08 -33.27 71.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.614 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 2.8 mmmp? -73.04 -41.17 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.136 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 702' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 699' ' ' ARG . 25.1 ptt? -66.33 -37.0 84.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -71.02 -33.96 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.621 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.48 -51.44 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.663 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.3 tt0 -63.79 -38.06 89.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.95 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.17 -43.03 93.04 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.833 0.349 . . . . 0.0 110.755 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -63.82 -38.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.597 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 0.3 OUTLIER -60.69 -41.05 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 176.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.6 mm-40 -58.83 -44.49 90.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.984 0.421 . . . . 0.0 110.431 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.77 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.475 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 31.0 tt0 -64.3 -32.98 74.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.326 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 33.0 mmt180 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.411 . . . . 0.0 110.094 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -69.89 -47.79 45.14 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.048 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.54 -65.0 1.06 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . 0.475 ' HB2' ' HG2' ' B' ' 711' ' ' GLN . 4.4 m120 -67.76 -47.17 69.95 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.6 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 8.2 tmtt? . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.631 -174.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -84.9 -16.83 39.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.615 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 79.2 m-85 69.39 11.89 8.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.463 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 74.7 mt -110.2 174.94 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.608 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 18.2 tp -113.21 151.31 31.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.7 p -66.06 133.28 50.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.962 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.462 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.31 -48.86 80.04 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.38 -41.96 88.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 84.5 mt -55.48 -52.03 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.29 0.566 . . . . 0.0 110.517 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.28 -30.93 71.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.611 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . 0.542 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 34.6 tt0 -65.66 -41.27 92.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.128 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 82.0 m-20 -64.28 -46.13 85.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.51 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 223' ' ' LEU . 6.2 mp -55.12 -48.69 73.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 110.886 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.542 ' HE ' ' HA ' ' A' ' 218' ' ' GLU . 63.4 mtm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.3 m -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.389 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 87.7 mt -60.05 -23.07 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . 0.509 ' N ' HD21 ' A' ' 224' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.173 -177.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 7.1 tp10 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -42.92 83.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.273 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG21 ' B' ' 622' ' ' VAL . 86.5 t80 -57.86 -43.82 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.376 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.68 -30.7 69.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.652 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 65.3 mt -60.62 -48.82 80.08 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.688 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.88 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.045 0.45 . . . . 0.0 110.343 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . 0.403 HG21 ' O ' ' B' ' 618' ' ' PHE . 69.0 t -62.87 -51.18 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.771 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.446 HG12 HD23 ' B' ' 624' ' ' LEU . 14.1 p -64.02 -39.58 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.49 HD11 ' NE ' ' B' ' 708' ' ' ARG . 2.2 mm? -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.683 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.05 -41.66 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.261 0.553 . . . . 0.0 110.464 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.672 HG21 ' HB ' ' B' ' 665' ' ' ILE . 77.2 m -67.17 -46.08 75.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.194 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.502 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.0 t30 -66.52 -45.48 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.584 ' HB2' HH21 ' B' ' 708' ' ' ARG . 2.8 tm? -60.26 -40.44 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.35 84.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.336 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.505 HG21 HD23 ' B' ' 634' ' ' LEU . 18.9 m -68.97 -38.51 79.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.47 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.518 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 46.1 mm -53.52 -53.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.351 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -64.51 -39.05 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.172 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.569 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.4 p -72.2 -35.39 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.554 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.778 ' HB3' HD12 ' B' ' 697' ' ' LEU . 2.7 mm? -65.3 -43.46 91.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.449 0.166 . . . . 0.0 110.753 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 631' ' ' ILE . 45.5 mt-10 -58.78 -38.41 78.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.188 0.518 . . . . 0.0 110.147 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.66 -41.07 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.576 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.569 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.3 mm -64.67 -46.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.123 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.29 -39.89 73.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.633 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -67.23 -46.57 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.368 176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -67.27 -30.66 70.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.19 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.652 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 92.9 mt -68.43 -43.14 77.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.768 176.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 56.25 19.71 4.09 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.697 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 48.59 54.59 10.32 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.402 0.62 . . . . 0.0 111.761 -172.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' B' ' 641' ' ' LEU . 51.1 mt -65.15 175.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.051 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 10.6 t -77.79 172.17 13.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.56 79.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -65.44 -31.02 71.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.371 0.605 . . . . 0.0 109.737 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 43.5 mt-10 -78.53 -31.9 47.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.851 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.528 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 79.7 mm-40 -67.85 -30.71 70.15 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.241 0.544 . . . . 0.0 110.175 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.23 -33.52 61.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.3 -59.42 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -90.85 90.83 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.632 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.8 ttp180 -111.55 149.38 31.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.474 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.755 HD21 HD23 ' B' ' 658' ' ' LEU . 5.5 mp -75.75 60.29 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.263 0.554 . . . . 0.0 109.986 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.32 -59.39 2.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.959 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -131.73 23.84 4.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.112 0.958 . . . . 0.0 108.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 -14.4 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.9 -172.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.755 HD23 HD21 ' B' ' 654' ' ' LEU . 85.0 mt . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' B' ' 667' ' ' ARG . 42.6 tt0 -77.02 -23.34 52.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.714 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.07 -46.3 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' B' ' 626' ' ' THR . 18.9 pt -71.32 -41.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.631 0.253 . . . . 0.0 111.461 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . 0.406 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.6 m170 -68.96 -47.12 66.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.766 0.793 . . . . 0.0 109.801 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.505 ' HB2' ' HG2' ' B' ' 663' ' ' GLU . 21.1 ttt180 -65.64 -36.44 83.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.531 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.56 -47.1 67.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 110.675 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.507 HD12 HG22 ' B' ' 696' ' ' VAL . 18.6 tp -66.97 -37.06 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' B' ' 678' ' ' ALA . 40.9 mt-30 -72.22 -24.17 61.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.83 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -68.09 -46.52 70.75 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.334 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.716 HG22 ' HG2' ' B' ' 703' ' ' LYS . 27.3 pt -75.77 -38.6 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.221 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.484 ' CD1' HG13 ' B' ' 681' ' ' ILE . 63.0 m-85 -92.73 27.89 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.812 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.94 2.03 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.593 0.961 . . . . 0.0 113.593 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.37 -38.71 65.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.65 ' HZ3' ' HB2' ' B' ' 677' ' ' LYS . 0.1 OUTLIER -151.59 45.99 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.967 -170.07 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . 0.419 ' HB3' ' HG2' ' B' ' 671' ' ' GLN . . . -71.91 -26.45 62.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.237 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.07 66.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.794 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.69 -34.67 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.127 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' B' ' 674' ' ' TYR . 23.0 mm -70.38 -45.88 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.501 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.409 HD13 HD22 ' B' ' 670' ' ' LEU . 46.6 mm -58.54 -40.4 78.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.49 -36.51 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.751 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.23 -37.39 91.75 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.384 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.519 HD21 HG13 ' B' ' 696' ' ' VAL . 92.3 mt -57.51 -30.71 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.632 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 10.9 mpt_? -86.69 -12.94 46.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.676 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.83 -44.69 5.7 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.836 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -148.49 94.14 4.22 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 110.269 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.562 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 42.7 Cg_endo -69.2 -21.0 36.71 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.859 2.373 . . . . 0.0 112.514 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 16.2 t -69.56 -27.12 64.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.262 0.553 . . . . 0.0 110.026 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.467 HG22 ' HA ' ' A' ' 223' ' ' LEU . 57.2 mt -93.53 -63.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.936 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.04 89.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 83.4 t -56.2 -57.19 24.09 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.4 Cg_exo -56.02 -43.43 56.79 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.949 1.766 . . . . 0.0 112.542 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.09 -55.41 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.177 0.513 . . . . 0.0 110.686 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.519 HG13 HD21 ' B' ' 685' ' ' LEU . 1.5 p -65.93 -34.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.704 -173.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' B' ' 634' ' ' LEU . 39.9 tp -69.12 -36.46 77.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.507 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -72.03 -38.56 69.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -62.77 -42.08 99.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.355 0.598 . . . . 0.0 109.577 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.518 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 23.1 tp -67.25 -35.23 79.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.84 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -47.57 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.948 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 45.2 ttp -59.01 -43.72 91.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.705 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.716 ' HG2' HG22 ' B' ' 673' ' ' ILE . 39.7 tptt -69.96 -37.09 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.427 -178.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -55.85 -51.58 67.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.882 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 45.1 mt-10 -59.77 -43.11 94.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.95 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . 0.493 ' CD ' ' HZ3' ' B' ' 703' ' ' LYS . 28.8 tt0 -57.88 -52.25 66.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.974 0.416 . . . . 0.0 110.314 177.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.615 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 1.9 m0 -63.18 -34.72 78.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.367 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.584 HH21 ' HB2' ' B' ' 628' ' ' LEU . 30.6 mmt180 -68.56 -33.11 73.51 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.132 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 45.2 mt-10 -81.28 -30.0 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.681 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.24 69.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.581 ' HG3' ' HB3' ' B' ' 715' ' ' ASN . 58.1 tt0 -62.14 -39.24 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.62 174.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 77.2 ttt180 -50.82 -50.7 55.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.677 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -72.6 -45.44 36.09 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.421 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -89.86 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . 0.581 ' HB3' ' HG3' ' B' ' 711' ' ' GLN . 24.8 t-20 -75.79 -49.4 18.19 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -168.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -175.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . 0.454 HD22 ' HB1' ' B' ' 710' ' ' ALA . 76.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.99 91.15 3.55 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -66.4 -26.6 67.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.626 -177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.427 HD12 ' O ' ' B' ' 672' ' ' ARG . 4.6 mm? -88.0 168.63 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.904 175.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.689 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 30.5 tp -108.35 146.88 32.33 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 22.4 m -64.8 131.68 47.46 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.848 0.356 . . . . 0.0 110.782 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.65 -43.46 84.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.845 -172.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -68.18 -39.48 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.062 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.479 HG12 HD21 ' A' ' 211' ' ' LEU . 74.2 mt -61.99 -47.79 91.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.369 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 53.2 mtt -59.9 -38.71 83.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.282 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.63 -46.66 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.248 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 81.9 m-20 -62.16 -50.11 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.474 HD23 ' HD2' ' B' ' 677' ' ' LYS . 10.7 mp -55.62 -50.5 70.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.066 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -63.31 -29.71 70.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 61.8 m -71.48 -46.38 59.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.316 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.6 mt -55.97 -49.48 73.46 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.887 -174.585 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -75.72 -34.43 60.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.734 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . 0.423 ' O ' HG22 ' B' ' 622' ' ' VAL . 75.3 t80 -63.83 -47.25 81.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.77 -31.07 71.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.043 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.487 ' HA ' HG11 ' B' ' 623' ' ' VAL . 29.9 tp -66.69 -43.93 83.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 109.961 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.19 -42.88 99.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.935 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 618' ' ' PHE . 74.8 t -63.92 -50.97 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.274 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.487 HG11 ' HA ' ' B' ' 620' ' ' LEU . 14.9 p -64.71 -34.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 C-N-CA 121.321 -0.152 . . . . 0.0 111.111 -176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.6 mm? -67.23 -40.12 86.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.517 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.91 -44.95 72.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.78 0.324 . . . . 0.0 110.449 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.505 HG22 ' HB1' ' B' ' 669' ' ' ALA . 89.8 m -58.15 -44.77 88.05 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.326 0.584 . . . . 0.0 110.096 175.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.414 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.8 t-20 -63.18 -54.48 36.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.922 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 2.4 mm? -53.47 -45.3 69.53 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.338 0.399 . . . . 0.0 111.365 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.48 82.72 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.737 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.461 HG23 HD22 ' B' ' 634' ' ' LEU . 58.4 m -70.8 -40.51 72.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.161 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.515 HD12 ' HG ' ' B' ' 700' ' ' LEU . 32.5 mm -51.77 -51.15 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 172.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 2.1 mmp_? -57.16 -50.7 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.585 -178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.464 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.0 p -68.5 -36.16 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.063 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.89 ' HB3' HD12 ' B' ' 697' ' ' LEU . 2.1 mm? -60.23 -51.81 67.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 177.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.46 -36.26 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' B' ' 640' ' ' LYS . . . -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.742 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 32.8 mm -69.62 -40.72 79.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.861 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . 0.455 ' C ' HE21 ' B' ' 638' ' ' GLN . 0.0 OUTLIER -61.55 -34.95 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.671 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -65.92 -44.12 86.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.052 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' B' ' 636' ' ' ALA . 14.4 mmmm -62.76 -38.1 89.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.454 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.1 mt -66.68 -68.75 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.282 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.2 m 55.4 34.0 22.05 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 61.64 80.83 0.21 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.051 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.4 157.47 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.522 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 69.4 p -76.85 175.74 9.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.76 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.21 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.462 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.15 -29.8 57.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.49 -24.5 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.83 -26.34 44.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.15 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.248 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -106.35 105.59 15.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.734 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 33.9 ttm180 -134.95 159.72 40.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.619 ' HA ' ' OG1' ' B' ' 657' ' ' THR . 8.7 mp -76.18 27.74 0.12 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -172.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -83.22 -22.86 33.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 110.278 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -120.85 8.13 10.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.655 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 657' ' ' THR . . . . . 0.619 ' OG1' ' HA ' ' B' ' 654' ' ' LEU . 0.1 OUTLIER -109.17 -167.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.628 -175.185 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' B' ' 657' ' ' THR . 92.9 mt . . . . . 0 N--CA 1.469 0.506 0 C-N-CA 124.105 0.962 . . . . 0.0 111.199 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . 0.603 ' O ' ' HD3' ' B' ' 667' ' ' ARG . 0.5 OUTLIER -64.7 -40.4 95.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.653 -177.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' B' ' 663' ' ' GLU . 4.2 p -56.69 -37.84 54.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.715 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.61 -43.22 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.718 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -73.6 -38.11 65.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.133 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.603 ' HD3' ' O ' ' B' ' 663' ' ' GLU . 9.6 mpt_? -61.32 -46.29 90.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.244 174.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -64.22 -39.04 93.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.24 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.505 ' HB1' HG22 ' B' ' 626' ' ' THR . . . -62.79 -42.38 99.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.25 -41.9 76.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.92 -23.39 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.573 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' B' ' 672' ' ' ARG . 4.8 tpm_? -56.47 -47.26 79.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.701 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 211' ' ' LEU . 11.6 pt -104.96 -41.91 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.999 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.82 32.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.325 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.27 -59.46 0.3 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -94.18 -1.09 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.474 ' HD2' HD23 ' A' ' 220' ' ' LEU . 45.7 mmtm -129.88 21.26 5.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.3 93.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.29 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.52 -40.95 80.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.04 -48.03 76.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.442 ' HA ' HD12 ' B' ' 685' ' ' LEU . 93.3 mt -63.65 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.71 -42.19 88.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.972 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -66.5 -40.16 94.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.489 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.585 HD23 HG21 ' B' ' 696' ' ' VAL . 95.9 mt -59.27 -40.66 86.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.419 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 79.4 mtp180 -89.28 17.52 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.133 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -126.12 -56.24 1.45 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.886 0.374 . . . . 0.0 110.197 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . 0.4 ' HB3' ' CG1' ' B' ' 691' ' ' ILE . 84.5 m-20 -132.19 92.96 27.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.094 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.35 -31.13 22.98 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.568 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 77.5 p -71.68 -16.37 62.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.248 0.547 . . . . 0.0 110.178 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.4 ' CG1' ' HB3' ' B' ' 688' ' ' ASN . 37.4 mm -98.68 -63.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.113 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 696' ' ' VAL . . . -70.52 -49.11 51.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.555 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.539 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 88.6 t -54.45 -51.21 80.17 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.545 ' O ' ' HG3' ' B' ' 698' ' ' LYS . 52.1 Cg_exo -54.53 -45.67 39.18 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.654 1.57 . . . . 0.0 112.027 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 75.8 mt -64.33 -52.19 58.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.585 HG21 HD23 ' B' ' 685' ' ' LEU . 29.5 m -65.03 -38.82 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.388 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.89 HD12 ' HB3' ' B' ' 634' ' ' LEU . 46.1 tp -61.67 -40.61 95.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 54.1 mtpt -68.65 -42.51 77.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.816 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.419 ' HE ' ' CG ' ' A' ' 219' ' ' ASP . 21.7 mmt180 -58.98 -47.52 84.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.392 0.615 . . . . 0.0 110.022 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.515 ' HG ' HD12 ' B' ' 631' ' ' ILE . 34.0 tp -66.12 -31.26 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.82 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.505 ' HD2' HD11 ' B' ' 631' ' ' ILE . 9.3 tptp -76.09 -40.36 53.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.173 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 702' ' ' MET . . . . . 0.53 ' O ' ' HB2' ' B' ' 705' ' ' GLU . 0.0 OUTLIER -73.2 -31.71 64.36 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.351 0.596 . . . . 0.0 109.837 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' B' ' 673' ' ' ILE . 12.1 tptp -69.56 -33.83 73.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 34.7 tt0 -61.13 -42.06 97.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' B' ' 702' ' ' MET . 52.6 mt-10 -51.26 -50.15 59.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.453 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -57.63 -49.59 75.93 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -64.54 -30.41 71.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.546 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 26.3 mmt180 -69.18 -33.78 73.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 17.2 mm-40 -64.49 -43.62 93.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.142 0.496 . . . . 0.0 109.732 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 207' ' ' LEU . . . -67.12 -48.23 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.859 176.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.47 -39.91 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.026 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.587 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 22.2 tpt180 -61.38 -53.69 53.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.578 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.44 93.68 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.298 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.62 -66.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.945 0.372 . . . . 0.0 111.949 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.93 -55.24 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 111.74 -169.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.587 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 23.1 tptp . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.871 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . 0.441 HD11 ' CB ' ' B' ' 710' ' ' ALA . 1.7 pt? . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -120.4 114.77 22.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.415 0.626 . . . . 0.0 111.239 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.488 ' HE2' HG13 ' B' ' 623' ' ' VAL . 96.5 m-85 -72.38 -39.98 67.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 63.3 tp -90.4 150.31 21.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.427 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 62.9 mt -96.62 158.65 15.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 11.1 p -73.92 162.66 28.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.889 -0.142 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.34 -48.89 36.02 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.591 0.557 . . . . 0.0 110.784 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 218' ' ' GLU . 37.4 tt0 -52.71 -40.37 62.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.38 -41.41 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.539 HG13 ' HD1' ' B' ' 674' ' ' TYR . 1.8 mp -60.15 -50.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.985 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.549 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 1.1 mpt? -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 214' ' ' GLU . 2.4 tp10 -60.77 -37.45 81.9 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.211 0.529 . . . . 0.0 110.426 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 223' ' ' LEU . 11.2 mp -60.28 -38.88 84.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.045 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 217' ' ' MET . 32.5 mmt180 -55.54 -49.26 73.12 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.281 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 35.7 m -61.88 -37.8 85.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.008 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.445 HD21 HG22 ' B' ' 691' ' ' ILE . 77.1 mt -60.17 -31.89 70.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.323 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 224' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.354 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 5.9 tp10 . . . . . 0 C--O 1.225 -0.22 0 CA-C-O 121.279 0.561 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -56.17 -51.88 66.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.766 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.89 -42.37 98.99 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.436 ' O ' HG12 ' B' ' 623' ' ' VAL . 11.2 tp10 -62.48 -35.01 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.239 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.414 ' HA ' HG12 ' B' ' 623' ' ' VAL . 42.8 mt -66.01 -43.65 87.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.752 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.03 -51.38 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.717 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.488 HG13 ' HE2' ' A' ' 209' ' ' TYR . 14.4 p -64.61 -35.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.364 -0.135 . . . . 0.0 111.208 -176.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -67.32 -41.77 84.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.691 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.59 -43.87 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.023 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.478 HG22 ' HB ' ' B' ' 665' ' ' ILE . 86.0 m -58.39 -42.17 86.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.526 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.505 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -58.39 -59.95 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.018 175.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.66 -35.75 63.87 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.656 0.598 . . . . 0.0 111.973 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.627 ' HA ' HH21 ' B' ' 632' ' ' ARG . . . -58.75 -58.67 7.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.419 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' B' ' 634' ' ' LEU . 13.3 m -65.86 -29.89 70.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.982 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' B' ' 700' ' ' LEU . 23.8 mm -55.08 -55.68 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.061 0.458 . . . . 0.0 110.478 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.627 HH21 ' HA ' ' B' ' 629' ' ' ALA . 68.5 mtm180 -63.49 -37.24 86.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.167 -176.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 629' ' ' ALA . 16.3 t -63.98 -50.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 0.0 110.203 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.66 HD12 HG13 ' B' ' 693' ' ' VAL . 0.2 OUTLIER -62.2 -45.1 94.89 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.411 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.24 -38.65 92.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.713 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.44 83.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.679 HG23 HD23 ' B' ' 654' ' ' LEU . 45.2 mm -64.37 -46.32 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.59 -37.05 74.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.146 0.498 . . . . 0.0 110.647 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.98 -35.77 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.848 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.42 -25.48 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' B' ' 689' ' ' PRO . 64.3 mt -75.98 -70.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 23.3 t 53.67 42.3 31.88 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.999 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 71.14 96.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.316 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 66.7 mt -109.21 155.09 21.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.972 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 13.9 m -71.32 167.83 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.68 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.06 75.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 0.0 111.539 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.39 -31.48 72.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.194 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 31.7 mt-10 -79.76 -22.26 43.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.432 ' HG2' ' CB ' ' B' ' 690' ' ' SER . 66.5 mt-30 -70.02 -32.84 71.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 172.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -77.44 -27.17 52.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.232 171.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' B' ' 648' ' ' GLU . 36.1 ttmt -66.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.262 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -103.2 98.4 8.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.616 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.659 ' HG3' ' HD3' ' B' ' 689' ' ' PRO . 38.5 ttp-105 -125.66 161.07 28.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.418 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.679 HD23 HG23 ' B' ' 637' ' ' ILE . 64.5 mt -74.32 82.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.352 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.48 -62.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -144.78 9.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.071 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.9 m -66.85 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.215 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.587 HD12 HD22 ' B' ' 654' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.127 0.489 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . 0.598 ' OE2' ' HB2' ' B' ' 667' ' ' ARG . 3.5 tm-20 -85.19 -35.25 21.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -173.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.9 p -49.19 -45.07 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.478 ' HB ' HG22 ' B' ' 626' ' ' THR . 17.2 pt -62.18 -30.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.877 0.37 . . . . 0.0 111.914 -177.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' B' ' 633' ' ' VAL . 51.8 m-70 -79.1 -47.28 16.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.598 ' HB2' ' OE2' ' B' ' 663' ' ' GLU . 11.6 ttm180 -63.29 -38.84 92.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.894 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.78 -44.41 96.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.58 -43.93 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.682 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.91 -39.4 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 48.6 mt-30 -68.83 -23.63 64.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.366 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -83.45 -31.85 26.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.662 0.267 . . . . 0.0 110.968 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.5 pt -90.46 -34.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.586 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.539 ' HD1' HG13 ' A' ' 216' ' ' ILE . 30.8 m-85 -117.78 36.11 4.44 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.879 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -34.0 -44.34 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.46 -31.74 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -139.71 36.39 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.515 0.674 . . . . 0.0 110.395 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . 0.521 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -65.3 -34.15 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.273 -177.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.42 -29.32 68.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.445 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.27 -43.27 70.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.125 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 33.6 mm -67.6 -33.33 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.114 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.521 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.4 mm -56.36 -47.03 81.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.34 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.68 -37.73 65.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.28 91.78 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.936 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.71 HD23 HG21 ' B' ' 696' ' ' VAL . 47.4 mt -59.16 -38.8 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 111.154 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -92.61 12.9 21.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.503 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.778 ' HB2' ' HZ1' ' B' ' 687' ' ' LYS . 0.3 OUTLIER -115.29 -46.62 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.583 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -145.98 97.67 4.49 Favored Pre-proline 0 N--CA 1.45 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.659 ' HD3' ' HG3' ' B' ' 653' ' ' ARG . 47.6 Cg_endo -68.29 -37.42 13.95 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.836 2.357 . . . . 0.0 112.948 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 690' ' ' SER . . . . . 0.432 ' CB ' ' HG2' ' B' ' 649' ' ' GLN . 15.6 t -72.19 -10.53 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.256 -0.278 . . . . 0.0 111.188 -174.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.445 HG22 HD21 ' A' ' 223' ' ' LEU . 36.8 mt -102.65 -57.75 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.984 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.61 ' O ' HG23 ' B' ' 696' ' ' VAL . . . -71.51 -45.17 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.66 HG13 HD12 ' B' ' 634' ' ' LEU . 52.9 t -54.32 -50.87 82.44 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.51 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 78.2 Cg_exo -52.01 -41.35 64.64 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.076 1.851 . . . . 0.0 112.58 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.571 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 23.7 mt -67.13 -56.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.147 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.71 HG21 HD23 ' B' ' 685' ' ' LEU . 3.2 m -63.5 -30.03 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.901 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' B' ' 634' ' ' LEU . 3.3 tm? -59.43 -50.04 75.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -63.42 -39.58 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.394 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 19.7 mmt180 -62.29 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.595 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' B' ' 631' ' ' ILE . 20.8 mt -63.95 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -72.95 -38.11 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.574 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.24 -47.25 81.84 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 109.701 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 21.4 mmtp -69.44 -30.62 68.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.535 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 31.9 tt0 -60.19 -50.99 71.5 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -52.36 30.38 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 175.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -60.98 -49.97 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.451 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.6 m0 -69.29 -20.63 63.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.938 -177.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 15.7 mmt180 -74.35 -36.18 63.61 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.2 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.03 -34.44 77.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.184 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . 0.441 ' CB ' HD11 ' A' ' 207' ' ' LEU . . . -71.88 -48.21 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -60.56 -54.61 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.723 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 21.6 mtm180 -73.27 -16.39 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.189 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.73 -57.45 2.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.287 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -90.92 -64.64 1.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.42 -52.59 60.87 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -168.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.723 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 15.2 tppt? . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . 0.496 HD12 ' HB1' ' B' ' 710' ' ' ALA . 90.4 mt . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.904 0.383 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 209' ' ' TYR . 3.8 t-20 -101.25 -47.45 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.702 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 208' ' ' ASN . 79.9 m-85 70.13 161.53 0.22 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.93 0.769 . . . . 0.0 111.305 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 38.4 tp 65.24 167.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.426 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 87.7 mt -105.91 150.18 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 37.1 p -75.67 165.18 25.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.835 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.85 -37.46 71.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.373 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.7 -50.49 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.663 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -60.01 -48.59 81.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.826 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.17 -50.04 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.13 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 35.6 tpp -66.05 -30.44 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.261 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . 0.453 ' CD ' HH21 ' A' ' 221' ' ' ARG . 7.6 tp10 -59.92 -46.5 89.16 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.873 175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -43.11 94.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.39 -43.5 88.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.986 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 217' ' ' MET . 55.6 mtm180 -65.25 -40.74 94.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.977 0.418 . . . . 0.0 110.142 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' THR . . . . . 0.458 HG21 HD12 ' B' ' 695' ' ' ILE . 26.1 m -62.93 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.181 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.449 HD23 HG23 ' B' ' 691' ' ' ILE . 75.6 mt -55.43 -39.19 69.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.331 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.394 -177.76 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.753 0.787 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -66.26 -44.13 84.51 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.623 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.17 -47.79 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.65 ' O ' HG21 ' B' ' 623' ' ' VAL . 37.8 tt0 -58.42 -43.89 88.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.55 ' O ' HD21 ' B' ' 624' ' ' LEU . 1.9 mm? -58.81 -51.98 67.66 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 -175.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.25 -36.52 81.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.282 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.43 -44.75 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.791 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.65 HG21 ' O ' ' B' ' 619' ' ' GLU . 91.8 t -57.73 -48.56 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.681 0.277 . . . . 0.0 110.35 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.55 HD21 ' O ' ' B' ' 620' ' ' LEU . 4.2 mm? -62.54 -44.06 97.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.016 -175.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.9 -44.5 89.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.073 0.463 . . . . 0.0 110.304 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.433 HG22 ' HB2' ' B' ' 669' ' ' ALA . 42.4 m -61.45 -40.0 92.9 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.488 0.661 . . . . 0.0 110.187 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.512 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.07 -55.31 34.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.469 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -34.47 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.36 79.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.171 0.51 . . . . 0.0 110.377 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.447 ' HA ' HG11 ' B' ' 633' ' ' VAL . 20.1 m -69.67 -33.44 72.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.1 mm -59.07 -56.23 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -60.49 -40.37 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.121 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.544 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.5 p -68.58 -41.56 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.098 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 46.3 mt -67.73 -43.88 78.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.387 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' B' ' 697' ' ' LEU . 35.0 mt-10 -63.74 -34.47 77.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.361 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.1 84.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 0.0 110.268 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.652 HG21 HD22 ' B' ' 654' ' ' LEU . 46.2 mm -61.18 -51.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.19 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' B' ' 694' ' ' PRO . 53.3 tt0 -65.18 -28.83 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.098 -178.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -73.43 -33.8 65.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.307 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.61 -33.93 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.291 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' B' ' 689' ' ' PRO . 89.7 mt -69.37 -70.76 0.26 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 50.7 m 45.94 53.12 9.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.351 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 66.76 81.03 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.775 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.565 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.5 mt -104.78 155.75 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.607 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 15.2 m -79.76 164.31 23.78 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.33 -38.64 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 111.55 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.02 -45.02 91.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.315 0.579 . . . . 0.0 110.557 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 32.9 mt-10 -70.92 -31.57 68.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.461 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.588 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 78.4 mt-30 -73.18 -26.85 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.778 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.28 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.368 0.604 . . . . 0.0 109.381 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . 0.422 ' HB3' ' HE2' ' B' ' 651' ' ' LYS . 35.8 ttpt -63.05 -49.48 74.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.674 176.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -124.15 98.98 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.046 0.45 . . . . 0.0 110.407 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' B' ' 649' ' ' GLN . 28.4 ttm180 -127.08 158.46 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.887 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.652 HD22 HG21 ' B' ' 637' ' ' ILE . 53.4 mt -62.02 128.93 38.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.528 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.65 -81.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.531 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -86.46 -8.76 57.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.8 p -71.23 -37.36 72.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.168 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.015 -178.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.021 0.439 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.91 -48.23 54.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.3 p -52.98 -47.64 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.155 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.98 -34.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 111.552 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.72 -42.21 51.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.539 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' B' ' 667' ' ' ARG . 45.3 ttm105 -68.71 -39.87 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' B' ' 672' ' ' ARG . 22.4 ttmm -62.46 -50.17 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.234 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.14 -36.65 82.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -37.78 88.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -73.67 -23.69 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.279 -0.263 . . . . 0.0 111.123 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 668' ' ' LYS . 21.2 mmm180 -72.27 -6.75 45.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.748 0.309 . . . . 0.0 111.018 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.614 HG23 ' HG3' ' B' ' 703' ' ' LYS . 12.3 pt -125.19 -47.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.407 ' OH ' ' HG2' ' B' ' 699' ' ' ARG . 73.5 m-85 -116.48 39.06 3.23 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 122.388 -0.195 . . . . 0.0 110.659 -177.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.85 -60.11 0.32 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.25 -10.0 58.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -129.36 23.72 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.08 86.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -175.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.363 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.96 -47.99 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 109.982 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.48 -49.15 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.63 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.455 ' HA ' HD11 ' B' ' 685' ' ' LEU . 95.0 mt -62.51 -38.83 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.99 -32.63 67.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -64.77 -33.36 87.02 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.899 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' B' ' 682' ' ' ILE . 86.8 mt -60.91 -35.22 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.114 0.483 . . . . 0.0 110.144 173.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.438 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 46.5 mmm-85 -77.6 -32.54 53.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.899 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -64.9 -55.41 19.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -152.64 102.5 2.71 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.99 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' B' ' 641' ' ' LEU . 42.5 Cg_endo -67.52 -29.55 36.96 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.0 2.466 . . . . 0.0 113.407 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 88.5 p -72.59 -13.93 61.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.847 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.466 ' O ' ' HD2' ' B' ' 694' ' ' PRO . 66.6 mt -99.8 -66.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' B' ' 685' ' ' LEU . . . -68.32 -40.93 81.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.642 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.0 t -53.43 -56.08 28.12 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.642 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 48.0 Cg_exo -58.23 -41.83 62.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.042 1.828 . . . . 0.0 113.358 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.458 HD12 HG21 ' A' ' 222' ' ' THR . 26.9 mt -69.39 -51.01 46.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.424 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.84 -31.1 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.251 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 2.5 tt -65.7 -48.23 72.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.953 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 55.3 mttp -63.03 -38.71 92.28 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.407 ' HG2' ' OH ' ' B' ' 674' ' ' TYR . 15.9 tpp180 -64.84 -42.71 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.271 0.558 . . . . 0.0 109.923 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.402 ' HG ' HD12 ' B' ' 631' ' ' ILE . 53.1 tp -69.14 -31.85 70.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.617 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.485 ' HD2' HD11 ' B' ' 631' ' ' ILE . 8.3 tptp -70.55 -37.04 73.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.99 -41.39 91.93 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.552 0.691 . . . . 0.0 109.805 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.614 ' HG3' HG23 ' B' ' 673' ' ' ILE . 52.4 mmtt -73.0 -29.38 62.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.09 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.434 ' CD ' ' HZ3' ' B' ' 701' ' ' LYS . 18.6 tt0 -59.95 -47.11 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 38.5 mt-10 -54.71 -49.07 71.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.884 175.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.11 -55.97 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.337 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.4 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.9 m0 -65.98 -42.2 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.501 ' HA ' HD12 ' B' ' 624' ' ' LEU . 31.8 tpt180 -68.24 -38.08 81.46 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.659 -176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -68.33 -34.39 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . 0.496 ' HB1' HD12 ' A' ' 207' ' ' LEU . . . -63.44 -46.82 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.503 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 16.5 tt0 -65.08 -41.23 95.21 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 109.794 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.45 -49.01 77.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.408 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.78 -47.12 6.42 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.221 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -89.94 -65.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.205 0.502 . . . . 0.0 111.927 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.0 -58.03 9.94 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 54.2 tttm . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -175.245 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.173 0.511 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -87.02 -48.08 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.999 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.416 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 54.6 m-85 69.58 -71.43 0.12 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.895 0.747 . . . . 0.0 111.27 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.66 156.08 38.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.533 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 63.1 mt -97.13 132.01 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 169.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.8 m -65.81 156.67 32.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.411 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.45 -47.48 27.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -173.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -64.73 -25.89 68.13 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.02 -52.35 29.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.492 ' CG2' ' HB2' ' B' ' 677' ' ' LYS . 76.1 mt -59.01 -47.54 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.662 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.543 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 46.9 ttm -60.45 -41.67 94.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.851 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.65 -46.69 80.9 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.614 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 87.4 m-20 -60.38 -48.32 82.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.464 HD12 HD11 ' B' ' 681' ' ' ILE . 8.3 mp -55.56 -40.03 71.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.986 0.422 . . . . 0.0 111.321 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 217' ' ' MET . 2.7 mmp_? -79.27 -17.14 55.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 64.0 m -84.86 -40.34 17.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.285 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.1 mt -56.82 -43.11 80.69 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.244 0.545 . . . . 0.0 110.94 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.353 0.597 . . . . 0.0 110.928 -175.379 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.151 0.5 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.99 -42.67 97.12 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.529 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -52.5 -44.86 65.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.03 -46.51 87.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.446 ' O ' HD22 ' B' ' 624' ' ' LEU . 96.6 mt -73.97 -43.1 59.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.185 0.517 . . . . 0.0 111.82 -174.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' B' ' 625' ' ' GLU . 5.7 t0 -63.22 -47.2 83.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.69 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.03 -45.27 91.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.556 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.79 -38.95 81.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.023 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -66.54 -46.76 75.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.266 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 621' ' ' ASP . 43.7 mm-40 -62.67 -45.87 90.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.257 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.502 HG23 ' HB1' ' B' ' 669' ' ' ALA . 25.1 m -60.68 -40.15 91.06 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.32 0.581 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.556 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -59.54 -55.78 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.267 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.459 HD21 HH21 ' B' ' 708' ' ' ARG . 1.0 OUTLIER -58.56 -42.97 89.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.971 -175.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.04 92.4 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 110.768 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 32.0 m -69.07 -35.7 76.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.656 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.556 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.4 mm -56.96 -49.28 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -53.6 -55.75 23.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.534 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.677 ' O ' HG12 ' B' ' 637' ' ' ILE . 13.4 p -65.1 -38.62 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.174 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.866 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.1 mm? -62.3 -48.57 79.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.59 0.233 . . . . 0.0 111.492 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.66 -32.54 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.291 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.56 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.673 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.677 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.4 mm -63.82 -52.89 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.84 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.44 -34.1 72.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.53 -49.01 78.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.702 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.72 -38.5 83.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -61.82 -60.15 4.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.933 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 48.9 m 58.7 23.37 11.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.842 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 643' ' ' ARG . 32.4 mtp-105 67.57 91.73 0.09 Allowed 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.791 0.682 . . . . 0.0 110.972 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 93.1 mt -101.39 164.94 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 15.3 t -74.49 167.48 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.092 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.57 -50.12 63.6 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.84 -33.93 75.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.616 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.587 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 49.2 mt-10 -74.19 -32.76 63.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.95 -25.4 63.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.332 0.586 . . . . 0.0 110.655 176.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.95 -33.04 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.32 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 4.4 tmmm? -73.42 -59.17 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.006 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.77 97.68 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 24.0 ttm180 -122.19 159.84 26.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.658 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.552 ' HG ' HD11 ' B' ' 658' ' ' LEU . 2.3 mm? -82.72 85.87 6.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.263 0.554 . . . . 0.0 111.237 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -114.33 -27.88 7.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.623 172.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -83.18 -3.24 57.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.637 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 15.3 t -159.16 171.21 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.435 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.552 HD11 ' HG ' ' B' ' 654' ' ' LEU . 72.1 mt . . . . . 0 N--CA 1.469 0.505 0 O-C-N 123.647 0.592 . . . . 0.0 110.653 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.461 0.112 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.44 -25.78 57.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.257 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.65 -48.6 59.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.64 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.5 pt -70.34 -32.83 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.425 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.03 -42.15 27.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.018 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.635 ' HG3' HD12 ' B' ' 682' ' ' ILE . 56.8 ttm-85 -65.27 -42.62 93.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -65.54 -38.53 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 626' ' ' THR . . . -65.78 -40.07 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.444 HD12 HG12 ' B' ' 682' ' ' ILE . 85.6 mt -71.89 -35.56 69.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -70.78 -24.31 62.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.75 0.31 . . . . 0.0 110.749 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -65.43 -36.99 85.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.852 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.54 HG22 ' HG3' ' B' ' 703' ' ' LYS . 17.7 pt -101.24 -34.25 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.983 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.423 ' CD2' HG13 ' B' ' 673' ' ' ILE . 81.3 m-85 -105.38 32.28 4.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.13 -40.22 0.2 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.08 -49.65 9.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 216' ' ' ILE . 74.5 mmtt -118.88 33.52 5.61 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.68 70.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.674 0.273 . . . . 0.0 111.492 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -54.4 -37.89 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.358 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -86.47 -29.7 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.108 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.464 HD11 HD12 ' A' ' 220' ' ' LEU . 45.0 mm -70.79 -45.21 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.012 0.435 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.635 HD12 ' HG3' ' B' ' 667' ' ' ARG . 91.9 mt -64.51 -44.2 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.094 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.75 -33.78 75.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.01 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.09 43.67 Favored Glycine 0 C--N 1.333 0.405 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.902 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.39 -34.11 76.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.38 . . . . 0.0 111.362 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.486 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 58.2 mtp180 -98.95 17.06 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.416 ' HG2' ' OD1' ' B' ' 688' ' ' ASN . 32.5 ttpt -128.79 -53.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . 0.418 ' HB3' ' HB ' ' B' ' 691' ' ' ILE . 19.8 m120 -128.82 83.48 66.06 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.736 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.567 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 35.6 Cg_endo -64.96 -39.28 25.27 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.181 1.921 . . . . 0.0 113.382 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 7.6 t -79.56 0.85 28.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.209 0.528 . . . . 0.0 110.342 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.418 ' HB ' ' HB3' ' B' ' 688' ' ' ASN . 63.1 mt -111.74 -61.19 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.674 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.94 35.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.229 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 55.2 t -48.85 -55.33 20.74 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.2 Cg_endo -56.94 -43.51 53.45 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.827 1.685 . . . . 0.0 112.79 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 223' ' ' LEU . 60.0 mt -68.75 -53.26 27.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.888 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.11 -38.78 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.362 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.866 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.1 tt -63.81 -44.37 93.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.28 -35.83 80.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.819 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.421 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 37.1 mmt180 -62.99 -37.52 87.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.177 0.513 . . . . 0.0 109.866 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.401 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 67.6 mt -66.08 -32.57 74.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.999 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.52 -34.95 67.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.743 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 4.7 ttm -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 109.754 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.54 ' HG3' HG22 ' B' ' 673' ' ' ILE . 64.8 mmtt -72.63 -29.89 63.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.298 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.08 -50.08 70.05 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.3 -48.5 78.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.49 -55.36 35.59 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.416 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 17.3 m0 -68.06 -34.37 76.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.997 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.459 HH21 HD21 ' B' ' 628' ' ' LEU . 33.3 mmt180 -68.19 -35.64 78.32 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.838 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.46 -36.28 65.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.769 0.319 . . . . 0.0 110.385 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.27 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.244 0.545 . . . . 0.0 109.924 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -63.35 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.117 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.607 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 44.0 ttt180 -54.15 -40.04 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.315 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -70.87 -52.56 14.13 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.746 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -89.16 -67.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.94 -35.12 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.607 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 4.2 tmtm? . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . 0.543 ' HB3' ' HE2' ' A' ' 209' ' ' TYR . 95.5 mt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.65 0.262 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -95.4 -58.79 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.226 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.543 ' HE2' ' HB3' ' A' ' 207' ' ' LEU . 89.8 m-85 71.69 -50.04 0.69 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.292 0.637 . . . . 0.0 112.214 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 48.1 tp -86.41 168.37 13.86 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.443 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 91.4 mt -114.0 145.04 42.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 4.0 m -60.74 147.56 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.719 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.13 -40.39 46.03 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.0 -46.75 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.756 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.53 -47.56 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.77 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.484 HG12 ' HD1' ' B' ' 674' ' ' TYR . 59.2 mt -56.56 -49.68 76.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.182 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.466 ' HG2' ' HD3' ' A' ' 221' ' ' ARG . 48.2 ttm -72.8 -28.7 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.664 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.62 -49.3 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.7 m-20 -58.11 -52.25 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 47.2 tp -55.25 -40.69 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.908 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.466 ' HD3' ' HG2' ' A' ' 217' ' ' MET . 11.5 mtp180 -73.18 -38.75 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.44 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 95.3 m -64.82 -30.27 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.124 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -59.21 -19.66 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.321 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.633 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -61.65 -38.34 87.37 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.343 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.79 -48.64 69.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.041 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.95 -42.27 99.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.253 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.497 ' HA ' HG12 ' B' ' 623' ' ' VAL . 3.9 mm? -64.58 -45.57 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.434 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.49 -42.62 98.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.156 0.503 . . . . 0.0 109.941 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.27 -45.36 86.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.562 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.2 p -68.87 -37.01 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.236 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -65.79 -45.09 83.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.84 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.87 -50.12 73.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.479 0.657 . . . . 0.0 109.804 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.674 HG22 ' HB ' ' B' ' 665' ' ' ILE . 94.5 m -63.82 -43.7 95.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.549 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.509 ' OD1' ' HA ' ' B' ' 704' ' ' GLU . 3.4 t-20 -56.29 -59.37 5.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.022 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.482 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.5 tt -65.91 -30.37 70.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.725 -173.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . 0.562 ' O ' HG22 ' B' ' 633' ' ' VAL . . . -60.29 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 109.842 173.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 14.4 m -63.39 -34.68 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.445 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.519 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 33.3 mm -52.39 -52.71 23.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.156 0.503 . . . . 0.0 110.398 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 74.2 mtp180 -65.11 -30.03 70.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.992 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 629' ' ' ALA . 41.1 t -64.67 -64.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.269 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.448 ' HB2' HD13 ' B' ' 697' ' ' LEU . 3.4 mm? -58.37 -38.98 78.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.381 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 1.3 mm-40 -59.83 -48.23 82.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.649 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.96 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.712 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 633' ' ' VAL . 81.5 mt -64.74 -47.69 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.79 -39.29 84.47 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 67.3 mttm -63.31 -41.0 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -70.17 -36.79 74.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 95.9 mt -64.81 -60.13 3.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 52.8 m 56.35 24.76 8.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.983 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . 0.487 ' HG2' ' HB3' ' B' ' 690' ' ' SER . 66.7 mtt180 54.96 65.49 1.49 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.326 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.4 mt -65.57 166.67 10.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.217 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 14.7 m -65.69 162.52 18.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.83 -45.04 67.12 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.004 0.43 . . . . 0.0 111.801 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -61.25 -39.38 90.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.661 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 33.1 mt-10 -79.82 -22.52 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.457 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -73.49 -27.47 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.027 0.441 . . . . 0.0 110.062 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.03 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.961 170.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -57.77 -58.48 8.18 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.276 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -107.19 80.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.845 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -98.66 153.71 18.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' B' ' 685' ' ' LEU . 8.4 mp -75.27 58.54 0.96 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -114.34 -3.8 13.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.321 0.581 . . . . 0.0 110.159 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -105.27 1.19 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.515 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 657' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 19.0 m -145.17 152.04 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.155 -178.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' B' ' 657' ' ' THR . 82.6 mt . . . . . 0 N--CA 1.466 0.339 0 O-C-N 123.608 0.568 . . . . 0.0 111.09 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 121.106 0.479 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.55 -40.59 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.89 -47.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.879 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.674 ' HB ' HG22 ' B' ' 626' ' ' THR . 25.2 pt -68.55 -41.63 83.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.168 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -70.63 -43.75 68.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 667' ' ' ARG . 16.7 ttm-85 -65.53 -42.03 92.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.051 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.67 -45.54 93.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.85 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.635 HD11 HD13 ' B' ' 673' ' ' ILE . 12.8 tp -71.03 -33.98 70.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.353 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.625 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 33.4 mt-30 -69.41 -24.61 63.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.637 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -78.25 -27.87 47.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.901 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.635 HD13 HD11 ' B' ' 670' ' ' LEU . 32.6 pt -95.31 -32.18 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.303 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.484 ' HD1' HG12 ' A' ' 216' ' ' ILE . 32.6 m-85 -122.66 48.59 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . 0.625 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -31.78 -53.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.67 -37.25 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.11 25.17 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.31 97.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.786 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.336 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.48 -43.95 72.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.096 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.99 -47.18 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.606 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.421 ' HA ' HD11 ' B' ' 685' ' ' LEU . 98.8 mt -61.09 -42.15 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.07 -43.43 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.041 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.02 98.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.291 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.622 HD22 HG13 ' B' ' 696' ' ' VAL . 58.7 mt -56.04 -38.32 70.41 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.08 -52.83 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.826 0.346 . . . . 0.0 110.754 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.496 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 11.4 ttmt -59.4 -51.86 68.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.076 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -133.31 82.95 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.24 -50.63 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.464 2.11 . . . . 0.0 113.085 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 690' ' ' SER . . . . . 0.487 ' HB3' ' HG2' ' B' ' 643' ' ' ARG . 24.2 m -66.57 -10.12 42.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.669 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 36.3 mt -91.72 -45.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.83 0.347 . . . . 0.0 110.571 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -84.09 -40.59 18.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -175.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.45 HG11 ' HD3' ' B' ' 694' ' ' PRO . 2.9 p -59.37 -36.04 36.91 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.45 ' HD3' HG11 ' B' ' 693' ' ' VAL . 11.7 Cg_exo -72.31 -40.98 2.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 121.493 1.462 . . . . 0.0 111.697 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 15.1 mt -67.52 -51.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.393 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.622 HG13 HD22 ' B' ' 685' ' ' LEU . 4.3 p -65.07 -33.82 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.37 -175.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' B' ' 635' ' ' GLU . 56.4 tp -72.72 -34.9 67.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.614 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.16 -45.21 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.229 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.449 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 29.8 mmt180 -62.6 -39.73 94.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.277 0.56 . . . . 0.0 109.874 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.519 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 27.4 tp -66.51 -32.45 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.615 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.508 ' HD2' HD12 ' B' ' 631' ' ' ILE . 4.8 mptp? -71.9 -37.62 70.08 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.5 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.4 ttp -63.47 -40.07 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.405 ' HE2' HG21 ' B' ' 673' ' ' ILE . 15.7 mmtm -70.12 -33.45 71.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.081 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.509 ' HA ' ' OD1' ' B' ' 627' ' ' ASN . 32.7 tt0 -55.72 -43.88 76.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.182 0.515 . . . . 0.0 109.749 174.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.1 -42.42 84.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' B' ' 709' ' ' GLU . 35.4 tt0 -59.5 -48.9 79.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -71.95 -28.91 63.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -64.69 -39.25 93.33 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 171.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 706' ' ' GLU . 27.7 mm-40 -56.89 -49.47 75.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.576 174.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.11 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.48 -37.07 85.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.641 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.509 ' HG2' ' HD2' ' B' ' 716' ' ' LYS . 58.5 mtm-85 -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.372 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -86.57 -48.71 4.4 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.952 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.73 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.77 -42.07 67.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.509 ' HD2' ' HG2' ' B' ' 712' ' ' ARG . 53.9 tttm . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -76.7 84.56 3.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.735 0.779 . . . . 0.0 109.964 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.12 -48.27 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.476 HD21 ' O ' ' B' ' 672' ' ' ARG . 76.7 mt -72.76 139.14 46.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.177 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.02 155.5 28.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 46.7 p -73.4 152.24 40.88 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.415 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 -31.61 60.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.12 -54.64 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.03 -34.69 78.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.007 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.59 -51.3 69.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.778 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.315 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.16 -52.3 65.85 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.328 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.72 -51.33 69.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.264 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.75 -45.91 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.569 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 1.6 mmp_? -70.47 -32.62 70.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.939 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 77.7 m -67.19 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 110.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.452 ' HA ' HG21 ' B' ' 691' ' ' ILE . 88.3 mt -59.18 -20.7 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.378 0.609 . . . . 0.0 109.893 178.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 121.052 0.453 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 617' ' ' ARG . 9.0 ttp180 -64.3 -33.96 77.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.71 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.6 -54.39 47.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.982 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.405 ' CD ' HH12 ' B' ' 672' ' ' ARG . 39.3 tt0 -69.01 -29.84 68.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.432 ' O ' HD23 ' B' ' 624' ' ' LEU . 1.4 mm? -66.22 -43.12 87.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.11 -41.45 81.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.074 0.464 . . . . 0.0 109.953 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.85 -48.01 88.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.498 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' B' ' 620' ' ' LEU . 13.3 p -65.53 -36.1 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.054 -177.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 620' ' ' LEU . 2.6 mm? -66.85 -40.42 87.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 110.6 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.39 -48.43 81.28 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.557 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.495 HG21 ' HB3' ' B' ' 669' ' ' ALA . 29.8 m -61.07 -41.91 97.5 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.454 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.462 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.3 t-20 -58.07 -61.06 2.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.705 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.39 -41.16 72.27 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.56 73.0 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 110.887 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 58.8 m -67.11 -35.39 79.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.849 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' B' ' 635' ' ' GLU . 24.9 mm -58.79 -55.71 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.282 174.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -56.43 -45.21 80.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.316 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.665 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.6 p -64.76 -42.75 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.661 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 44.8 mt -70.72 -36.1 73.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.516 ' HA ' HD11 ' B' ' 697' ' ' LEU . 52.7 mt-10 -59.45 -41.61 90.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -62.79 -43.61 98.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.774 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.665 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.5 mm -61.11 -54.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.031 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' B' ' 694' ' ' PRO . 8.6 tt0 -60.65 -36.18 78.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 110.618 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -61.6 -47.13 86.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.436 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 97.9 mttt -68.6 -28.63 67.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -73.28 -70.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.676 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.0 m 55.03 32.84 19.0 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 69.34 96.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.885 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.762 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 97.1 mt -112.4 162.41 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.223 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.474 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 36.0 t -76.06 163.74 26.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.11 -34.31 63.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 111.671 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.14 -40.11 86.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.213 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.762 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 36.7 mt-10 -75.1 -32.2 61.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.19 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 645' ' ' SER . 76.2 mt-30 -65.95 -31.54 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.399 176.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.77 64.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -78.1 -56.25 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.101 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -110.29 102.86 11.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 40.2 ttp180 -135.36 165.99 24.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.969 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.498 HD21 ' O ' ' B' ' 685' ' ' LEU . 2.9 mm? -79.81 97.34 6.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.065 0.459 . . . . 0.0 109.972 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -132.03 -80.39 0.51 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.96 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -99.77 6.03 45.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 p -84.37 -32.39 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.541 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 -179.775 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.25 0.547 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.0 -47.67 85.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.255 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.87 -45.71 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.344 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.5 -34.67 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 O-C-N 122.23 -0.294 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -70.05 -43.24 71.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 667' ' ' ARG . 8.7 tpt180 -61.12 -49.06 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.225 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.39 -38.36 83.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.486 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.495 ' HB3' HG21 ' B' ' 626' ' ' THR . . . -65.94 -45.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.735 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.9 -32.07 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -72.03 -28.05 63.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.559 0.219 . . . . 0.0 111.31 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.476 ' O ' HD21 ' A' ' 210' ' ' LEU . 10.0 ttm180 -73.49 -29.98 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.561 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.62 -39.28 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.929 0.395 . . . . 0.0 111.491 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -114.29 39.31 2.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.307 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.1 -38.51 3.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -76.32 -43.05 42.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.508 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.438 ' O ' HG12 ' B' ' 681' ' ' ILE . 70.7 mmtt -120.64 33.97 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . 0.517 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -59.27 -46.12 89.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.203 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.15 79.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -69.73 -39.97 76.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.198 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.438 HG12 ' O ' ' B' ' 677' ' ' LYS . 47.5 mm -71.04 -40.64 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 678' ' ' ALA . 33.4 mm -57.46 -46.59 85.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.05 0.453 . . . . 0.0 109.964 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.6 -41.99 99.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.37 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.2 -43.51 98.36 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.501 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.498 ' O ' HD21 ' B' ' 654' ' ' LEU . 87.8 mt -57.81 -44.06 86.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.237 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' B' ' 682' ' ' ILE . 59.1 mtm180 -73.9 -25.25 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.046 0.451 . . . . 0.0 110.552 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.453 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 36.9 ttmt -80.61 -50.16 10.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.218 -175.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -149.14 97.51 3.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.258 0.552 . . . . 0.0 110.228 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.455 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 37.2 Cg_endo -65.91 -25.11 52.69 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.903 2.402 . . . . 0.0 112.42 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 23.1 t -75.83 -9.56 58.7 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.435 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.452 ' O ' ' HD2' ' B' ' 694' ' ' PRO . 43.8 mt -106.62 -65.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.58 95.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.631 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.3 t -55.83 -53.93 57.55 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.631 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -54.89 -41.94 73.66 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.175 1.917 . . . . 0.0 112.909 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.551 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.6 mt -73.53 -49.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.911 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.479 HG13 HD23 ' B' ' 685' ' ' LEU . 2.9 p -64.27 -33.77 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.229 0.537 . . . . 0.0 110.289 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 635' ' ' GLU . 1.9 tt -68.32 -40.25 81.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -57.83 -42.75 84.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.929 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 34.1 mmt180 -63.39 -46.58 85.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.334 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.81 -32.85 71.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.797 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.402 ' HE2' ' OE1' ' B' ' 704' ' ' GLU . 3.1 tptm -73.06 -35.85 66.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.092 0.472 . . . . 0.0 109.83 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 54.2 ttp -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.521 173.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.431 ' HZ2' ' CD ' ' B' ' 706' ' ' GLU . 4.6 tptp -71.76 -31.5 66.7 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.402 ' OE1' ' HE2' ' B' ' 701' ' ' LYS . 35.1 tt0 -57.37 -49.0 77.57 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.77 -49.48 68.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.52 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . 0.431 ' CD ' ' HZ2' ' B' ' 703' ' ' LYS . 37.3 tt0 -60.66 -50.23 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -65.59 -33.85 76.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.741 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.419 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 51.2 mm-40 -65.51 -36.53 84.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.855 0.359 . . . . 0.0 110.735 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.26 68.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 0.0 110.31 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.07 -37.25 86.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.905 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.58 ' HA ' ' CG ' ' B' ' 716' ' ' LYS . 10.0 ptm180 -74.1 -17.23 60.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -87.22 -50.38 3.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.697 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -90.19 -64.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.85 -56.53 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -167.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.116 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . 0.585 ' HB2' ' OE2' ' B' ' 706' ' ' GLU . 85.5 m-20 -108.96 90.69 3.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' B' ' 673' ' ' ILE . 24.8 m-85 -68.99 -40.05 78.98 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.149 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.46 158.04 17.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.072 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.731 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 77.7 mt -100.04 155.38 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 25.1 p -69.36 137.68 53.06 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -63.3 -23.04 67.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.173 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.94 -54.07 46.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.13 -43.8 98.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.333 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.637 ' O ' ' HB2' ' A' ' 220' ' ' LEU . 72.4 mt -57.35 -46.9 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.594 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.41 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 44.4 ttm -68.56 -31.28 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.682 0.277 . . . . 0.0 110.639 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.53 -55.56 33.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.6 p30 -77.44 -29.38 52.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.962 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.637 ' HB2' ' O ' ' A' ' 216' ' ' ILE . 0.5 OUTLIER -53.86 -45.32 70.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 110.2 175.042 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 217' ' ' MET . 92.9 mtt180 -70.11 -43.89 70.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.348 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 93.3 m -59.6 -32.85 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 83.3 mt -63.87 -16.59 61.74 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 121.143 0.497 . . . . 0.0 111.211 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.688 179.05 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' B' ' 715' ' ' ASN . 28.3 ttp-105 -56.13 -38.69 71.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.73 -48.15 83.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.65 -30.9 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.314 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.508 ' HA ' HG12 ' B' ' 623' ' ' VAL . 2.5 mm? -66.7 -40.44 88.47 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.766 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.38 -43.46 90.67 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.77 -53.44 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.474 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.4 p -63.94 -39.52 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.913 -0.13 . . . . 0.0 111.34 -176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 624' ' ' LEU . 1.9 mm? -63.94 -43.22 96.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.739 0.304 . . . . 0.0 110.849 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -71.33 -38.19 71.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.079 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.548 HG21 ' HB3' ' B' ' 669' ' ' ALA . 89.4 m -62.34 -45.18 94.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.277 0.56 . . . . 0.0 110.07 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.16 -44.3 95.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.202 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.87 -47.19 85.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.806 -177.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.52 94.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.15 0.5 . . . . 0.0 110.916 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' B' ' 666' ' ' HIS . 32.1 m -68.7 -36.62 78.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.483 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 1.0 OUTLIER -57.6 -47.56 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.559 174.498 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 15.7 mmm180 -67.27 -45.09 77.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.391 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.532 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.2 p -64.13 -41.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.053 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.411 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.3 mt -69.08 -41.14 77.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.479 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.408 ' OE2' HG21 ' B' ' 631' ' ' ILE . 43.3 mt-10 -63.91 -36.44 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.269 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.316 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.532 HG12 ' O ' ' B' ' 633' ' ' VAL . 47.9 mm -58.2 -44.55 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.226 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -55.61 -42.47 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -73.71 -35.14 65.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 28.4 mtpp -70.88 -29.07 65.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.373 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 81.2 mt -71.28 -64.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.34 174.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 74.9 m 49.12 38.31 12.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 67.72 82.78 0.17 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.956 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 81.1 mt -87.5 155.27 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.103 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 32.8 t -73.0 167.54 20.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.85 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.893 0.378 . . . . 0.0 111.034 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.83 -27.86 68.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.241 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.445 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.7 mt-10 -76.56 -34.65 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.461 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 45.3 mt-30 -73.47 -21.54 60.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.599 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.99 59.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 109.8 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -88.33 -60.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.853 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -103.52 112.13 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.248 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.48 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 18.2 ttp180 -131.83 171.29 13.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.36 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.462 ' H ' ' HG2' ' B' ' 653' ' ' ARG . 8.6 mp -78.74 63.42 3.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 0.0 111.003 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -109.32 127.52 54.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.014 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 69.77 7.13 6.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.034 0.534 . . . . 0.0 111.709 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 4.1 p -97.6 -38.68 9.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.295 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 663' ' ' GLU . 7.9 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 110.228 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.132 0.491 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' B' ' 658' ' ' LEU . 41.7 tt0 -59.37 -52.37 65.92 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.21 -33.86 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 0.0 111.158 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.403 HG23 HG23 ' B' ' 626' ' ' THR . 53.3 mt -67.08 -57.45 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . 0.431 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.3 m-70 -69.99 -36.9 75.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.41 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -61.0 -52.47 64.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.274 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.95 -44.56 94.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.319 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.548 ' HB3' HG21 ' B' ' 626' ' ' THR . . . -61.04 -44.94 96.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.81 HD23 HG12 ' B' ' 682' ' ' ILE . 14.0 tp -76.71 -36.88 56.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' B' ' 678' ' ' ALA . 86.5 mt-30 -66.5 -24.22 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.058 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.564 ' NE ' ' HA ' ' B' ' 672' ' ' ARG . 3.2 tpm_? -64.91 -51.66 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.699 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.731 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.0 pt -79.77 -39.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.577 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.649 ' CD1' HG13 ' B' ' 681' ' ' ILE . 30.7 m-85 -99.29 31.22 3.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.224 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.56 3.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.83 -15.52 56.16 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -152.55 35.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.418 0.628 . . . . 0.0 110.585 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' B' ' 671' ' ' GLN . . . -62.28 -43.73 98.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.903 -173.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.4 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.755 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.05 -27.67 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.993 0.425 . . . . 0.0 110.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.649 HG13 ' CD1' ' B' ' 674' ' ' TYR . 47.5 mm -80.11 -45.67 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.199 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.81 HG12 HD23 ' B' ' 670' ' ' LEU . 82.9 mt -63.96 -37.04 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.34 0.591 . . . . 0.0 109.904 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.55 -25.23 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.652 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -57.58 -44.77 93.75 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.253 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.412 ' HB3' HD23 ' B' ' 654' ' ' LEU . 71.5 mt -62.89 -34.11 76.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.369 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.48 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 21.5 mtm180 -84.81 -28.54 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.566 . . . . 0.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -70.44 -62.69 1.29 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.843 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -130.41 90.73 40.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.731 -178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.461 ' HG2' ' OE1' ' B' ' 649' ' ' GLN . 18.8 Cg_endo -60.95 -46.34 16.47 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.196 1.931 . . . . 0.0 112.581 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 8.6 t -70.55 -3.93 20.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.194 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 44.8 mm -108.14 -59.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.15 61.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.583 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 48.3 t -52.19 -54.43 41.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.72 -176.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.583 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 32.1 Cg_exo -59.43 -44.54 32.07 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.814 1.676 . . . . 0.0 112.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.69 -54.26 20.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.61 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.84 -38.88 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.411 HD13 ' CB ' ' B' ' 634' ' ' LEU . 63.7 tp -65.87 -36.52 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 177.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.13 -42.84 99.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 110.633 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.627 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 22.2 mmt180 -63.48 -39.26 93.98 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.394 0.616 . . . . 0.0 110.527 176.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.483 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 16.9 tp -72.66 -29.62 63.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.675 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 62.5 mmtt -73.4 -33.7 65.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.064 175.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 55.0 ttp -61.52 -43.72 98.35 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.163 0.506 . . . . 0.0 109.712 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 25.7 mmtp -78.24 -27.27 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.025 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 171.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.12 -48.26 80.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.814 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . 0.585 ' OE2' ' HB2' ' A' ' 208' ' ' ASN . 30.6 tt0 -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -67.93 -28.42 67.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.39 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -46.13 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.92 -33.73 76.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.26 68.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.435 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 36.6 tt0 -65.59 -30.17 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.237 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 78.9 ttt180 -61.41 -33.92 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.374 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.41 -46.07 10.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.934 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -88.56 -65.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.915 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . 0.435 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 49.7 t30 -68.91 -47.73 65.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.485 -171.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 50.0 tttm . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.672 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.368 0.604 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -93.55 110.64 22.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.729 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -92.52 -49.39 6.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.911 0.386 . . . . 0.0 110.536 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -83.59 169.81 14.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.551 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.39 176.62 5.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.065 171.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -81.33 145.27 30.95 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.7 -35.75 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.38 0.609 . . . . 0.0 109.843 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.79 -55.23 32.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.148 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.14 -34.5 73.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.83 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.408 HG12 ' HD1' ' B' ' 674' ' ' TYR . 78.4 mt -62.49 -50.75 78.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.334 0.588 . . . . 0.0 110.359 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 45.1 ttm -67.38 -33.62 75.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.75 -45.43 85.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.222 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.82 -53.06 62.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.83 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.513 HD23 ' HD3' ' B' ' 677' ' ' LYS . 49.3 tp -55.85 -41.52 74.44 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.382 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 217' ' ' MET . 99.3 mtt180 -69.61 -38.57 77.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.049 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 90.4 m -62.97 -32.52 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.733 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.51 -35.04 73.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.509 -177.203 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 4.6 tp10 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -71.85 -33.67 68.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.155 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . 0.449 ' O ' HG21 ' B' ' 622' ' ' VAL . 9.2 m-85 -61.7 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.49 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.72 -44.06 85.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.548 ' HB3' ' OE1' ' B' ' 711' ' ' GLN . 93.0 mt -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.705 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.26 -41.07 87.95 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 618' ' ' PHE . 94.0 t -68.87 -51.33 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' B' ' 620' ' ' LEU . 7.2 p -61.1 -40.98 87.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.159 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.639 ' HG ' ' HG2' ' B' ' 711' ' ' GLN . 0.8 OUTLIER -61.38 -51.41 68.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 111.2 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.22 -42.93 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.505 HG21 ' HB3' ' B' ' 669' ' ' ALA . 20.8 m -64.18 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.195 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.503 ' O ' HG12 ' B' ' 631' ' ' ILE . 2.9 t-20 -61.75 -54.31 44.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.46 176.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 5.0 tt -61.79 -38.25 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.763 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.4 85.9 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.613 0.721 . . . . 0.0 110.339 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.522 HG22 HD22 ' B' ' 634' ' ' LEU . 24.1 m -66.85 -33.7 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.368 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 627' ' ' ASN . 43.2 mm -56.55 -48.57 80.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.259 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 71.7 mtp180 -57.21 -53.62 56.0 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.927 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.543 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.0 p -69.45 -33.77 58.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.665 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 0.6 OUTLIER -61.64 -50.34 72.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.621 0.248 . . . . 0.0 111.065 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.511 ' HA ' HD13 ' B' ' 697' ' ' LEU . 29.7 mt-10 -64.35 -34.37 78.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.37 82.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.543 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.6 mm -63.49 -45.09 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -59.19 -39.35 82.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -68.72 -38.65 80.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.673 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.78 -31.15 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 689' ' ' PRO . 79.0 mt -72.67 -70.28 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.244 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.7 m 60.46 23.48 13.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.321 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 67.2 94.61 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 111.073 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.741 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 87.8 mt -108.66 167.16 10.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.224 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.4 p -78.18 167.47 21.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.57 65.24 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.67 -37.23 86.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.796 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.741 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 35.3 mt-10 -79.29 -28.3 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.89 -31.01 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.937 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.17 -21.23 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.289 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -77.79 -58.91 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.995 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -103.84 109.52 21.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 60.5 ttp180 -135.21 151.51 50.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.457 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.592 ' CD1' ' HB3' ' B' ' 689' ' ' PRO . 6.1 mp -73.96 112.99 10.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.59 0.233 . . . . 0.0 110.873 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' B' ' 656' ' ' ASN . 17.6 t70 -166.73 103.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' B' ' 655' ' ' ASP . 47.2 m-80 69.99 -0.32 2.79 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.819 0.699 . . . . 0.0 110.417 -171.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -20.15 59.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.053 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.672 ' HB2' ' HG3' ' B' ' 663' ' ' GLU . 73.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.653 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.784 0.326 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' B' ' 658' ' ' LEU . 33.4 tt0 -73.98 -29.86 62.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.1 p -54.66 -47.1 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.769 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' B' ' 626' ' ' THR . 35.1 pt -68.63 -36.08 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.984 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -73.51 -44.8 56.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.043 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 16.5 ttm180 -61.05 -48.11 83.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.927 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.24 -43.07 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.411 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' B' ' 626' ' ' THR . . . -62.94 -44.04 97.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.196 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.88 -36.68 75.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 26.1 mt-30 -69.7 -24.26 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.714 0.292 . . . . 0.0 110.863 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -72.45 -12.54 61.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.644 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.411 HG21 ' HG3' ' B' ' 703' ' ' LYS . 39.9 pt -107.43 -23.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.082 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.408 ' HD1' HG12 ' A' ' 216' ' ' ILE . 22.7 m-85 -115.02 25.81 10.62 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.47 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -39.48 -46.21 1.66 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . 0.509 ' OD1' ' HG2' ' B' ' 677' ' ' LYS . 13.8 t70 -52.15 -47.95 65.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.513 ' HD3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -118.98 34.08 5.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.111 -178.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -57.97 -51.87 67.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.76 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.8 -45.94 48.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.117 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 677' ' ' LYS . 43.6 mm -65.02 -41.92 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.41 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 37.5 mm -60.81 -43.38 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.54 -36.54 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.605 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.24 -46.0 94.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.256 -0.497 . . . . 0.0 111.903 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.485 HD22 HG21 ' B' ' 696' ' ' VAL . 58.6 mt -59.78 -34.67 73.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.429 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 2.1 tpt180 -76.29 -12.71 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.837 -176.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -108.15 -53.3 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.466 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -136.65 91.55 15.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.601 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.592 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 50.7 Cg_endo -70.45 -26.84 23.91 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.58 2.187 . . . . 0.0 112.35 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -29.2 70.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.504 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 695' ' ' ILE . 67.5 mt -94.6 -54.27 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.524 ' O ' HG23 ' B' ' 696' ' ' VAL . . . -64.72 -52.03 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.461 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 88.9 t -55.79 -49.86 90.42 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -169.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.2 Cg_endo -56.49 -38.97 94.34 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.444 1.429 . . . . 0.0 112.479 177.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 691' ' ' ILE . 13.4 mt -70.33 -53.13 24.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 110.602 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 692' ' ' ALA . 15.6 m -61.34 -35.2 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.252 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.0 tt -63.42 -43.02 98.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.982 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 61.3 mttp -56.09 -49.77 72.89 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -68.2 -30.87 70.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.052 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.6 tp -72.74 -36.45 67.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.243 0.544 . . . . 0.0 109.787 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' B' ' 701' ' ' LYS . 9.0 tptm -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.972 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.0 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.963 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.485 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 46.2 mmtt -69.04 -38.8 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.463 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.43 -46.25 83.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.12 -46.32 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.123 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.72 -50.54 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.729 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.501 ' O ' ' HB2' ' B' ' 711' ' ' GLN . 5.4 m0 -62.29 -32.68 73.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.727 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' B' ' 708' ' ' ARG . 7.2 mmt180 -66.53 -43.24 85.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.29 -29.61 65.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.444 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.42 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.22 0.534 . . . . 0.0 110.21 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.639 ' HG2' ' HG ' ' B' ' 624' ' ' LEU . 8.8 tp60 -62.56 -30.52 71.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.137 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.515 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.9 ttp180 -62.93 -31.58 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.497 176.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.19 -41.27 10.39 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.483 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -89.02 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.825 0.345 . . . . 0.0 111.869 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . 0.48 ' HB2' ' NE2' ' B' ' 711' ' ' GLN . 27.4 t-20 -69.32 -49.59 54.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.847 -171.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 22.8 ttpt . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.564 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 210' ' ' LEU . 10.7 t-20 -102.72 9.63 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.73 ' HD2' ' HE1' ' B' ' 707' ' ' TRP . 92.5 m-85 74.33 -30.41 0.2 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.139 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.434 HD22 ' O ' ' B' ' 672' ' ' ARG . 72.5 mt -73.36 -175.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 111.199 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.43 ' CD1' ' HB ' ' B' ' 673' ' ' ILE . 5.8 mp -113.74 172.73 6.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 30.7 p -79.85 150.07 30.77 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.54 -44.91 13.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.939 0.495 . . . . 0.0 111.335 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -52.53 -37.76 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.475 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -78.32 -39.43 39.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.224 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' A' ' 211' ' ' LEU . 2.2 mp -61.96 -48.58 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -33.46 75.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.6 -52.45 64.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.294 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -64.45 -38.75 92.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.143 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.98 -43.17 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.145 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -67.2 -30.49 70.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.779 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 59.5 m -68.92 -31.36 70.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.387 0.137 . . . . 0.0 111.112 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.496 HD22 HG22 ' B' ' 691' ' ' ILE . 52.8 mt -62.81 -32.55 73.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.228 0.537 . . . . 0.0 109.555 173.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.805 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . 0.405 ' OE1' ' HB3' ' B' ' 714' ' ' PHE . 37.1 tt0 . . . . . 0 C--O 1.238 0.497 0 CA-C-O 121.614 0.721 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 617' ' ' ARG . 35.3 ttt180 -65.45 -37.18 86.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.033 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.65 -53.26 32.4 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.385 0.428 . . . . 0.0 110.555 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.29 -38.84 91.46 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.636 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.507 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.11 -39.36 82.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.876 0.369 . . . . 0.0 110.32 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.16 -47.81 80.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.387 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.79 -37.13 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.009 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.22 -41.45 77.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.752 0.31 . . . . 0.0 110.727 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.18 -48.58 81.14 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.515 HG23 ' HB3' ' B' ' 669' ' ' ALA . 19.5 m -61.52 -39.67 91.86 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.13 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.431 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -56.77 -61.36 2.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.93 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.37 -34.93 76.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.56 92.63 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.209 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.495 ' HA ' HG11 ' B' ' 633' ' ' VAL . 25.7 m -74.55 -31.28 62.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.054 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.482 HD13 ' HG ' ' B' ' 700' ' ' LEU . 29.9 mm -60.17 -51.75 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 0.0 110.099 173.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.86 -45.74 93.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.342 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.641 ' O ' HG12 ' B' ' 637' ' ' ILE . 10.8 p -65.24 -46.11 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.393 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.497 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 40.9 mt -65.19 -39.46 92.88 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.326 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 639' ' ' LYS . 19.3 mm-40 -61.47 -42.76 99.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.512 175.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.78 97.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.155 0.502 . . . . 0.0 110.222 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.641 HG12 ' O ' ' B' ' 633' ' ' VAL . 44.6 mm -59.3 -48.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.949 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.27 -42.03 85.6 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.803 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . 0.699 ' HG2' ' O ' ' B' ' 635' ' ' GLU . 46.9 mmtm -60.34 -40.54 91.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.237 0.541 . . . . 0.0 110.576 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -81.49 -23.94 37.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.593 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 61.4 mt -71.48 -71.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.719 177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.6 m 57.29 40.06 28.05 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.52 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 72.1 -38.47 0.42 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.503 1.121 . . . . 0.0 112.63 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' B' ' 648' ' ' GLU . 75.4 mt 63.04 -177.19 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.64 0.733 . . . . 0.0 111.937 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.43 ' H ' ' HB2' ' B' ' 648' ' ' GLU . 7.2 m -109.49 177.79 4.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.331 172.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.5 63.94 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 120.787 0.327 . . . . 0.0 111.203 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.1 -40.4 81.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.281 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.618 ' HB3' HD23 ' B' ' 644' ' ' LEU . 43.4 mt-10 -73.72 -32.15 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -174.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -69.0 -31.53 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.457 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.17 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.232 174.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -64.23 -64.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.769 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -101.58 97.13 7.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.766 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -121.13 156.79 31.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.924 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.553 HD23 HG21 ' B' ' 637' ' ' ILE . 88.3 mt -77.6 29.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -170.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.44 -77.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.668 0.27 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -72.74 -29.12 63.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.081 0.467 . . . . 0.0 110.735 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 m -73.59 -27.68 61.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.236 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.653 -176.38 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.194 0.521 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.05 -45.76 86.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.307 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -48.44 -46.02 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 O-C-N 123.811 0.695 . . . . 0.0 112.868 -170.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.52 -45.38 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.825 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . 0.421 ' CE1' HG12 ' B' ' 633' ' ' VAL . 35.9 m-70 -72.63 -43.48 63.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.268 0.556 . . . . 0.0 110.215 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 69.1 ttt180 -63.12 -40.0 96.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.396 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.49 -46.29 90.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.515 ' HB3' HG23 ' B' ' 626' ' ' THR . . . -60.3 -46.35 90.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.11 -28.62 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.143 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 84.8 mt-30 -75.53 -24.35 56.77 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.418 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.434 ' O ' HD22 ' A' ' 210' ' ' LEU . 40.2 ttt180 -89.76 14.63 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.067 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.43 ' HB ' ' CD1' ' A' ' 211' ' ' LEU . 11.2 pt -131.09 -41.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.582 170.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.48 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 80.1 m-85 -103.36 29.25 5.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.847 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.15 -51.75 0.25 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.05 -30.39 66.54 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -136.52 38.64 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.914 0.387 . . . . 0.0 111.961 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -68.05 -31.18 70.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.98 85.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.827 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -38.24 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.47 -43.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 47.0 mm -60.72 -41.09 87.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.15 0.5 . . . . 0.0 110.053 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.24 -47.55 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.493 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.66 -46.93 93.19 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.707 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.542 HD23 HG11 ' B' ' 696' ' ' VAL . 82.9 mt -56.93 -45.99 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -85.59 17.97 3.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -137.97 -41.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.262 . . . . 0.0 111.307 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.26 92.56 12.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 0.0 110.306 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.44 -35.04 18.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.088 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 50.6 m -66.96 -13.29 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.98 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.496 HG22 HD22 ' A' ' 223' ' ' LEU . 42.0 mt -102.94 -58.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.027 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -72.14 -39.68 68.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.621 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 69.2 t -55.69 -54.65 49.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 119.221 -0.419 . . . . 0.0 112.079 -176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.59 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 73.3 Cg_exo -52.5 -46.15 35.11 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.203 1.935 . . . . 0.0 112.768 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.72 -55.02 19.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.194 0.521 . . . . 0.0 110.494 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.542 HG11 HD23 ' B' ' 685' ' ' LEU . 2.4 p -64.59 -34.17 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.742 -174.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 0.5 OUTLIER -70.2 -40.4 74.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.06 -40.03 87.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.429 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.48 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 34.1 mmt180 -64.12 -40.1 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.482 ' HG ' HD13 ' B' ' 631' ' ' ILE . 34.0 tp -69.48 -34.96 75.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.622 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 4.4 mptp? -69.43 -36.81 77.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.166 0.507 . . . . 0.0 110.334 175.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.77 -46.88 83.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.069 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.453 ' HZ3' ' CD ' ' B' ' 706' ' ' GLU . 2.6 mptp? -70.38 -25.73 63.38 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.459 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 27.1 tt0 -57.61 -48.53 79.15 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 31.7 mt-10 -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.216 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . 0.453 ' CD ' ' HZ3' ' B' ' 703' ' ' LYS . 34.3 tt0 -60.14 -51.84 67.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.385 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.73 ' HE1' ' HD2' ' A' ' 209' ' ' TYR . 9.9 m0 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.06 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' B' ' 712' ' ' ARG . 14.3 mmt180 -62.95 -41.84 99.64 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.052 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -71.41 -36.82 71.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 110.947 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.51 -50.2 70.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.048 0.451 . . . . 0.0 110.106 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.486 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 43.1 tt0 -64.7 -28.72 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.82 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.611 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 18.0 ttt180 -66.32 -47.77 72.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.331 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -73.4 -38.65 52.53 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.101 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . 0.405 ' HB3' ' OE1' ' B' ' 616' ' ' GLU . 31.1 m-85 -88.13 -64.96 1.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.798 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . 0.486 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 34.9 t30 -74.7 -52.38 11.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.879 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.046 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . 0.505 HD23 ' HB2' ' B' ' 710' ' ' ALA . 71.4 mt . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.117 0.484 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.81 96.37 6.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.183 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.27 -40.39 11.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.554 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 40.4 mt -87.28 -169.12 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.227 -174.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.736 HD22 ' HD2' ' B' ' 703' ' ' LYS . 96.5 mt -134.58 144.5 47.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.5 m -61.97 148.4 43.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.07 -41.15 25.25 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.583 0.353 . . . . 0.0 111.707 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -60.11 -32.98 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.265 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.35 -47.15 68.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.852 HG22 ' HB3' ' B' ' 677' ' ' LYS . 4.6 mp -67.2 -39.81 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.347 0.594 . . . . 0.0 109.818 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 32.7 ttm -67.97 -33.69 75.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.256 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.73 -44.32 93.8 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.473 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 0.7 OUTLIER -57.21 -54.54 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.28 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.51 -41.92 70.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.594 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -65.01 -33.74 76.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 15.8 m -72.42 -44.78 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 68.6 mt -59.79 -26.96 66.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.025 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 10.6 t30 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.043 -174.346 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 34.3 tt0 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 -63.43 -31.8 73.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.131 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.186 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.408 ' O ' HG11 ' B' ' 623' ' ' VAL . 33.6 tt0 -69.04 -30.48 68.85 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.467 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 63.1 mt -60.75 -45.05 95.82 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.566 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.88 -45.59 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.1 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.8 -49.94 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.751 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.408 HG11 ' O ' ' B' ' 619' ' ' GLU . 15.0 p -66.63 -39.91 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 121.312 -0.155 . . . . 0.0 111.362 -175.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.07 -48.68 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.293 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -60.01 -47.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.529 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.514 HG22 ' HB1' ' B' ' 669' ' ' ALA . 50.2 m -61.66 -38.13 86.58 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.352 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.578 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.2 t-20 -61.31 -56.88 15.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.72 177.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 3.5 mm? -55.05 -38.71 68.36 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.313 0.383 . . . . 0.0 111.666 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.02 82.87 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.332 0.587 . . . . 0.0 110.659 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.477 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.4 m -69.85 -34.98 74.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.095 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.65 HD13 ' HB3' ' B' ' 700' ' ' LEU . 44.2 mm -51.29 -58.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.368 . . . . 0.0 110.443 170.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 19.5 mmt180 -59.09 -44.08 91.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.802 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' B' ' 630' ' ' THR . 11.1 p -64.36 -45.67 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.909 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.557 HD21 HD13 ' B' ' 637' ' ' ILE . 47.5 mt -73.74 -33.08 64.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -176.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.514 ' HG2' HD23 ' B' ' 697' ' ' LEU . 64.2 mt-10 -64.85 -40.75 95.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 109.843 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.33 83.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.557 HD13 HD21 ' B' ' 634' ' ' LEU . 96.7 mt -59.52 -48.64 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.125 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.17 -41.52 88.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.538 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . 0.439 ' HB3' ' HE3' ' B' ' 639' ' ' LYS . 25.3 ttpp -59.23 -45.04 92.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.62 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -70.22 -43.74 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 93.9 mt -62.87 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.327 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 34.0 m 56.43 25.32 9.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.172 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 34.7 mtt85 64.21 79.17 0.26 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.188 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.77 176.99 5.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.115 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.496 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 27.5 t -62.97 153.99 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.74 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.79 -39.56 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.61 -28.81 59.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.53 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 77.7 mt-30 -63.98 -34.29 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.681 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -82.53 -24.73 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.16 -61.04 1.99 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -96.25 104.34 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.629 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 39.3 ttp180 -123.41 154.08 39.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.155 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -84.5 31.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -169.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' B' ' 653' ' ' ARG . 9.9 m-20 -61.93 -55.97 24.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -87.08 -1.97 58.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.4 m -93.25 -42.42 9.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.761 178.817 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -38.34 89.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.204 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.69 -36.55 66.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 CA-C-O 121.098 0.475 . . . . 0.0 110.625 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.469 HG21 HG21 ' B' ' 626' ' ' THR . 10.7 mm -71.83 -53.01 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.521 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -63.9 -36.28 83.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -71.85 -43.64 65.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.871 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -60.82 -43.93 97.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 110.774 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.514 ' HB1' HG22 ' B' ' 626' ' ' THR . . . -64.34 -46.49 83.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.479 HD22 HD12 ' B' ' 673' ' ' ILE . 0.6 OUTLIER -61.45 -39.48 90.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.195 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.581 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 45.0 mt-30 -72.45 -23.41 61.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.926 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 38.0 mtt180 -81.34 -29.61 34.08 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.518 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.59 HG13 ' CD2' ' B' ' 674' ' ' TYR . 21.2 pt -90.57 -39.49 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.671 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.59 ' CD2' HG13 ' B' ' 673' ' ' ILE . 96.6 m-85 -108.65 31.39 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.159 -0.338 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -32.12 -61.6 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -169.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.51 -1.91 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -171.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.852 ' HB3' HG22 ' A' ' 216' ' ' ILE . 49.9 tptt -153.31 29.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.601 0.715 . . . . 0.0 110.286 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.115 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.34 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.469 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . 0.462 ' HB2' ' HE3' ' B' ' 677' ' ' LYS . 12.1 t70 -68.71 -46.01 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.3 mm -68.23 -41.62 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.703 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.61 -39.93 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.365 0.602 . . . . 0.0 110.097 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . 0.689 ' OD2' ' HE2' ' B' ' 687' ' ' LYS . 20.3 t70 -71.85 -44.29 64.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.49 -39.09 96.84 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.919 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.467 HD21 HG23 ' B' ' 696' ' ' VAL . 83.9 mt -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.168 0.508 . . . . 0.0 110.854 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.629 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 83.0 mtp180 -92.41 11.66 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.032 -177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.689 ' HE2' ' OD2' ' B' ' 683' ' ' ASP . 48.0 mttm -117.13 -55.42 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.491 174.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -129.42 85.73 58.19 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 37.2 Cg_endo -66.0 -35.43 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.578 2.185 . . . . 0.0 112.79 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.0 m -67.94 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.977 0.417 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 73.8 mt -97.97 -62.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.798 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.481 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.24 -44.1 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 72.2 t -55.51 -49.35 93.1 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.0 Cg_exo -57.54 -34.37 97.94 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.621 1.547 . . . . 0.0 112.762 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.406 ' O ' ' HD3' ' B' ' 699' ' ' ARG . 49.8 mt -74.4 -48.01 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.57 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.1 m -65.74 -33.33 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.514 HD23 ' HG2' ' B' ' 635' ' ' GLU . 3.1 tm? -59.84 -42.87 94.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.93 -42.78 98.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.447 ' HG2' ' OH ' ' B' ' 674' ' ' TYR . 1.6 mpt_? -62.72 -48.57 78.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.854 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' B' ' 631' ' ' ILE . 2.9 mm? -59.0 -42.43 90.05 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.8 OUTLIER -64.11 -49.82 70.72 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -65.79 -35.72 81.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 110.862 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.736 ' HD2' HD22 ' A' ' 211' ' ' LEU . 28.9 mtpp -86.72 -17.62 33.2 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.96 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 25.9 tt0 -59.38 -49.48 77.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.79 -36.17 79.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.898 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' B' ' 703' ' ' LYS . 3.7 tp10 -58.06 -53.05 62.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -69.69 -31.86 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -60.38 -41.69 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.12 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.99 -44.22 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.464 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . 0.505 ' HB2' HD23 ' A' ' 207' ' ' LEU . . . -62.62 -45.36 93.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.189 177.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.18 -40.54 96.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.352 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.603 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 13.6 ttp180 -72.89 -26.14 61.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -75.89 -42.65 24.77 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.236 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -89.78 -64.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.933 0.396 . . . . 0.0 112.045 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.52 -41.9 65.36 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -169.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.603 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' B' ' 710' ' ' ALA . 2.4 pp . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.331 0.586 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -152.3 175.72 12.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.588 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -120.09 -41.25 2.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.416 HD23 ' O ' ' B' ' 672' ' ' ARG . 67.0 mt -80.41 -173.4 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.645 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.411 HD23 HG12 ' A' ' 216' ' ' ILE . 21.4 tp -129.65 150.49 50.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 151.63 29.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -41.62 62.9 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.014 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -49.42 -56.27 10.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.822 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.24 -41.03 67.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.952 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.411 HG12 HD23 ' A' ' 211' ' ' LEU . 75.0 mt -57.33 -52.65 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 110.977 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.571 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 9.6 tpp -68.98 -32.25 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.693 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.19 -52.64 64.71 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.246 0.546 . . . . 0.0 109.885 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 80.6 m-20 -61.25 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.02 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 4.8 mp -57.27 -44.82 84.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 217' ' ' MET . 69.3 mtm180 -62.17 -38.62 89.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 110.388 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 222' ' ' THR . . . . . 0.514 HG23 HD13 ' B' ' 695' ' ' ILE . 28.1 m -71.59 -19.99 62.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.591 HD21 HD12 ' B' ' 695' ' ' ILE . 92.6 mt -78.5 -35.01 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 0.0 110.193 173.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 16.4 m120 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.05 -176.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' B' ' 619' ' ' GLU . 45.1 tt0 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.372 0.606 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' B' ' 715' ' ' ASN . 58.6 ttt-85 -65.23 -39.62 92.97 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.096 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . 0.417 ' O ' HG22 ' B' ' 622' ' ' VAL . 81.0 t80 -62.39 -40.81 97.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.731 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' B' ' 616' ' ' GLU . 8.5 tp10 -55.03 -41.97 72.05 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.458 175.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.511 ' O ' HD21 ' B' ' 624' ' ' LEU . 80.8 mt -66.01 -41.39 91.07 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 120.878 0.37 . . . . 0.0 110.748 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.51 -43.55 93.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.304 0.573 . . . . 0.0 110.253 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 618' ' ' PHE . 69.1 t -63.71 -50.62 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.455 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.502 ' HB ' HH11 ' B' ' 672' ' ' ARG . 9.9 p -61.87 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.889 -177.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.568 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 2.1 mm? -60.17 -53.07 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.057 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.7 -44.31 86.52 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.4 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.502 HG22 ' HB3' ' B' ' 669' ' ' ALA . 22.4 m -60.13 -41.75 93.35 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.308 0.575 . . . . 0.0 110.455 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.619 ' O ' HG12 ' B' ' 631' ' ' ILE . 8.1 t30 -65.43 -47.38 76.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.114 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.89 -39.07 80.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.7 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.66 92.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.298 0.571 . . . . 0.0 110.044 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 48.2 m -65.96 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.008 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.625 ' CD1' ' HB3' ' B' ' 700' ' ' LEU . 42.1 mm -54.72 -60.63 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 110.633 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 632' ' ' ARG . 22.6 mtm180 -58.77 -42.99 90.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.86 -173.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.658 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.1 p -67.18 -43.62 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.956 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 22.4 mt -72.12 -29.66 64.29 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.466 ' HG2' HD22 ' B' ' 697' ' ' LEU . 81.0 mt-10 -65.61 -38.1 88.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.81 87.48 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.626 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 633' ' ' VAL . 46.9 mm -60.52 -50.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.867 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.15 -27.81 66.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 635' ' ' GLU . 79.0 tttt -61.99 -36.16 80.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.704 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -79.87 -49.44 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.044 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.0 -21.64 63.75 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.633 -175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 9.8 p -9.93 76.26 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.85 1.66 . . . . 0.0 115.352 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 643' ' ' ARG . 14.5 mtm180 55.33 31.97 17.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.603 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.428 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.5 mt -64.51 151.45 44.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.722 0.296 . . . . 0.0 110.733 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 44.5 t -66.46 157.13 32.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.9 62.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.039 0.447 . . . . 0.0 110.763 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -61.53 -41.97 98.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.489 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.0 mt-10 -79.92 -21.68 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.16 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.624 ' HB3' ' HG2' ' B' ' 689' ' ' PRO . 75.7 mt-30 -71.65 -27.33 63.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.292 0.568 . . . . 0.0 109.787 175.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.22 -25.8 47.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.947 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.77 -59.22 2.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.944 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -104.92 99.82 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.543 ' HD2' ' OD1' ' B' ' 655' ' ' ASP . 7.7 ttm180 -131.69 165.15 24.37 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.509 HD12 HG23 ' B' ' 637' ' ' ILE . 3.2 mm? -71.44 0.39 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . 0.543 ' OD1' ' HD2' ' B' ' 653' ' ' ARG . 1.1 m-20 -55.61 -54.73 40.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.914 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -99.76 -7.42 25.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 10.2 m -95.85 -46.31 6.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.534 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.564 0.697 . . . . 0.0 109.339 -178.146 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -37.69 19.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.26 -45.62 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 15.4 pt -66.23 -34.71 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -81.91 -36.7 27.82 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.889 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 9.1 tpt180 -61.02 -47.01 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -59.94 -53.35 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.019 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.502 ' HB3' HG22 ' B' ' 626' ' ' THR . . . -60.1 -41.97 93.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.481 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.92 -35.21 69.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.499 ' HG2' ' CB ' ' B' ' 678' ' ' ALA . 27.7 mt-30 -71.36 -23.57 61.93 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.189 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.502 HH11 ' HB ' ' B' ' 623' ' ' VAL . 21.5 ttm180 -63.53 -35.25 79.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.17 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 26.7 pt -98.17 -43.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.81 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -98.4 31.41 2.83 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.305 -0.247 . . . . 0.0 110.865 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -38.43 -49.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.24 -11.07 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.521 ' HD2' ' HB2' ' B' ' 680' ' ' ASP . 17.2 mmtp -142.77 31.12 1.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.196 -0.315 . . . . 0.0 111.697 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . 0.499 ' CB ' ' HG2' ' B' ' 671' ' ' GLN . . . -61.71 -38.28 87.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.25 69.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.143 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . 0.521 ' HB2' ' HD2' ' B' ' 677' ' ' LYS . 7.8 t70 -80.91 -37.53 29.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.414 HG12 ' O ' ' B' ' 677' ' ' LYS . 42.2 mm -69.77 -47.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.214 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.56 -39.38 75.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 109.977 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.13 -46.69 89.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.074 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . 0.419 ' HA2' ' HE2' ' B' ' 687' ' ' LYS . . . -62.39 -41.69 99.75 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.74 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.47 -39.02 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.97 0.414 . . . . 0.0 111.261 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -95.91 17.33 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.011 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.419 ' HE2' ' HA2' ' B' ' 684' ' ' GLY . 34.0 ttpt -128.22 -53.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . 0.417 ' HB3' HD11 ' B' ' 691' ' ' ILE . 19.1 m120 -125.6 79.22 67.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.938 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.624 ' HG2' ' HB3' ' B' ' 649' ' ' GLN . 34.0 Cg_exo -57.29 -48.44 17.72 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.079 2.519 . . . . 0.0 112.758 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 690' ' ' SER . . . . . 0.536 ' HG ' ' NE2' ' B' ' 649' ' ' GLN . 42.2 m -72.88 1.77 8.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.417 HD11 ' HB3' ' B' ' 688' ' ' ASN . 58.3 mt -112.43 -58.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.546 ' O ' HG21 ' B' ' 696' ' ' VAL . . . -68.53 -47.69 66.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -173.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 97.9 t -57.01 -48.84 96.78 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.3 Cg_exo -54.54 -41.56 76.13 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 121.704 1.603 . . . . 0.0 112.328 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.591 HD12 HD21 ' A' ' 223' ' ' LEU . 76.9 mt -67.67 -54.69 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.114 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.546 HG21 ' O ' ' B' ' 692' ' ' ALA . 11.1 m -60.01 -34.83 57.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.466 HD22 ' HG2' ' B' ' 635' ' ' GLU . 2.0 tm? -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.41 -50.06 74.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -60.91 -37.49 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 -178.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.625 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 41.1 mt -68.74 -39.37 80.36 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.308 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.433 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.7 OUTLIER -60.98 -44.55 97.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.33 0.586 . . . . 0.0 110.022 174.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 9.3 ttt -53.16 -52.88 57.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.323 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -29.13 59.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -177.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -55.36 -55.98 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.102 0.477 . . . . 0.0 110.299 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.2 mt-10 -70.55 -35.96 73.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.709 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.52 -51.67 68.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.0 110.009 175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.568 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 6.0 m0 -68.24 -29.3 68.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.17 -43.41 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.86 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 47.9 mm-40 -62.06 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . 0.6 ' HB2' HD23 ' A' ' 207' ' ' LEU . . . -65.15 -51.42 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.296 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.504 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 15.5 tt0 -63.56 -34.81 78.62 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.651 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.679 ' HG3' ' HD3' ' B' ' 716' ' ' LYS . 46.5 ttm105 -63.06 -50.24 71.4 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.185 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.28 94.0 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.201 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.4 -66.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.483 -0.422 . . . . 0.0 112.055 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 711' ' ' GLN . 3.5 m-20 -67.86 -55.2 13.79 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.006 -171.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.679 ' HD3' ' HG3' ' B' ' 712' ' ' ARG . 64.4 tttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -87.33 -36.63 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 70.72 -62.46 0.44 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.464 0.706 . . . . 0.0 111.144 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.6 tp -84.54 161.22 20.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.728 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 216' ' ' ILE . 0.4 OUTLIER -111.29 162.29 15.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -54.98 129.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.388 0.43 . . . . 0.0 111.777 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -53.56 -25.17 16.0 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.449 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.4 -40.32 82.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.8 -39.15 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.555 HD12 ' HG ' ' A' ' 211' ' ' LEU . 2.1 mp -57.4 -44.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.021 0.438 . . . . 0.0 109.866 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 67.3 mtt -61.7 -42.48 98.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -35.14 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.482 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 98.6 m-20 -63.83 -47.26 81.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.413 ' HA ' HD13 ' A' ' 223' ' ' LEU . 10.0 mp -58.63 -41.29 85.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 221' ' ' ARG . 4.2 mmp_? -61.72 -46.59 89.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.442 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 86.8 m -61.05 -37.5 82.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.295 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -55.66 -36.66 67.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.274 0.559 . . . . 0.0 110.411 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 224' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.845 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.954 0.407 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -63.66 -52.16 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.61 -36.68 76.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.248 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.521 ' O ' HG12 ' B' ' 623' ' ' VAL . 9.3 tp10 -57.89 -46.8 84.37 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.023 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.537 ' O ' HD21 ' B' ' 624' ' ' LEU . 2.6 mm? -62.22 -51.96 65.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.39 -172.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.05 -44.46 96.64 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.271 0.558 . . . . 0.0 110.446 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.14 -46.39 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.9 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.521 HG12 ' O ' ' B' ' 619' ' ' GLU . 14.8 p -62.33 -38.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.753 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -61.5 -46.54 89.56 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.306 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.06 -42.99 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.004 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 665' ' ' ILE . 35.2 m -60.6 -45.97 92.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.249 0.547 . . . . 0.0 110.422 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.534 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.35 -51.21 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.201 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.9 tt -64.56 -32.32 73.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.969 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.436 0.636 . . . . 0.0 109.847 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.525 HG21 HD21 ' B' ' 634' ' ' LEU . 24.6 m -67.57 -34.48 77.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.092 175.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 627' ' ' ASN . 47.0 mm -58.84 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 173.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 57.0 mtp180 -52.73 -56.69 13.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.587 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.1 p -65.82 -41.61 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.809 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.0 mm? -62.8 -46.36 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.359 -0.213 . . . . 0.0 111.508 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.92 -37.69 83.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.387 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.0 77.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.491 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.587 HG12 ' O ' ' B' ' 633' ' ' VAL . 33.3 mm -60.79 -50.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.038 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.4 -35.64 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.45 . . . . 0.0 110.791 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -72.44 -33.69 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.744 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -73.62 -44.19 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 96.4 mt -58.01 -35.88 71.89 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.908 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.6 p 43.62 32.59 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 61.24 33.91 18.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.116 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.7 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.9 mt -57.05 161.64 2.95 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.408 172.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 38.4 p -78.07 173.29 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.181 -0.207 . . . . 0.0 110.767 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.12 70.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' B' ' 647' ' ' GLU . 1.7 mp0 -60.48 -40.5 91.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.964 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 42.5 mt-10 -79.39 -28.26 41.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.159 -176.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.518 ' OE1' HD22 ' B' ' 641' ' ' LEU . 80.3 mm-40 -72.45 -24.7 61.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.223 0.535 . . . . 0.0 110.306 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.25 22.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.72 -57.3 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.244 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -103.42 100.47 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.543 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 15.8 ttp180 -126.44 149.61 49.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.702 -174.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.99 102.24 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.669 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -129.22 -64.18 0.91 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -100.6 -6.43 25.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.156 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -36.28 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.953 -175.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 110.911 -177.745 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 662' ' ' SER . . . . . 0.611 ' HB3' HD12 ' B' ' 665' ' ' ILE . 22.1 m . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -72.33 -50.69 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.59 -43.6 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.301 -175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' B' ' 662' ' ' SER . 46.9 pt -66.72 -34.02 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.183 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -69.7 -47.18 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.373 0.606 . . . . 0.0 109.719 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.21 -44.03 85.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -62.18 -40.93 97.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.256 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' B' ' 626' ' ' THR . . . -63.28 -43.1 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.13 -44.32 92.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.914 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.54 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.78 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -76.04 -30.35 58.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.679 0.276 . . . . 0.0 111.086 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' B' ' 674' ' ' TYR . 47.8 pt -96.13 -20.28 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.281 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.462 ' CD1' HG13 ' B' ' 681' ' ' ILE . 53.9 m-85 -122.34 38.73 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -41.91 -35.58 0.88 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.66 -45.73 13.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -121.55 38.06 4.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.804 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.7 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.4 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.3 71.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.625 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.34 -36.77 63.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.093 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.7 mm -76.8 -40.11 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.575 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 36.7 mm -56.39 -46.4 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 110.004 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.76 -37.49 76.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.72 -40.12 96.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.592 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.606 HD21 HG13 ' B' ' 696' ' ' VAL . 96.4 mt -62.29 -40.7 97.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.086 0.469 . . . . 0.0 110.494 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.543 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 55.6 mtp180 -84.32 -2.67 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.432 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -93.69 -62.92 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.5 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -138.81 92.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.498 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.473 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 30.4 Cg_endo -64.0 -26.0 66.41 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.846 2.364 . . . . 0.0 112.538 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 10.8 p -73.15 -11.92 60.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 0.0 111.285 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 66.6 mt -108.54 -59.42 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.161 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.68 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 72.3 t -56.49 -53.85 59.7 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -174.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 10.5 Cg_endo -55.84 -44.38 48.07 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.817 1.678 . . . . 0.0 112.453 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.06 -53.97 34.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.161 0.505 . . . . 0.0 110.861 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.606 HG13 HD21 ' B' ' 685' ' ' LEU . 2.0 p -64.57 -34.29 68.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.624 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.809 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 0.5 OUTLIER -64.06 -44.14 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.757 177.377 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 64.0 mttp -58.19 -44.0 87.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.711 0.291 . . . . 0.0 110.767 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.407 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 33.1 mmt180 -61.0 -40.45 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 56.9 mt -63.96 -45.62 88.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.374 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 14.0 mmmm -65.97 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.974 0.416 . . . . 0.0 110.587 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.12 -45.41 92.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.3 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.478 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 58.5 mmtt -72.23 -32.81 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.525 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.33 -42.84 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.84 -49.56 76.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.051 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.69 -50.29 73.68 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.134 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.546 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 7.5 m0 -66.98 -31.58 72.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -176.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -65.3 -44.34 88.21 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.624 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.1 -39.86 79.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.408 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.55 47.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.209 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.88 -40.28 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.543 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 39.8 ttp-105 -60.53 -53.21 60.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.478 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.76 -46.53 94.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.975 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -88.54 -64.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -52.1 13.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -169.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.543 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 50.0 tptt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.611 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.393 0.616 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -79.49 116.74 19.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.777 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.471 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 24.0 m-85 -74.28 -45.55 46.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.532 HD12 ' O ' ' B' ' 672' ' ' ARG . 3.8 mm? -74.56 166.85 22.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.185 -176.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 53.1 mt -91.9 160.56 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 167.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 20.4 p -69.09 131.42 44.97 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 217' ' ' MET . 13.5 t70 -55.86 -33.89 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.755 -175.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.75 -47.68 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.112 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -75.59 -26.19 57.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.529 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.32 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.243 0.544 . . . . 0.0 109.743 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.564 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 73.4 mtp -66.43 -37.39 85.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.077 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -54.87 -49.05 72.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 5.7 t70 -59.74 -52.04 67.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.3 -43.65 75.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.628 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 217' ' ' MET . 36.0 mmt180 -64.29 -41.52 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.428 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -33.26 73.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.23 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 90.6 mt -62.52 -34.02 76.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.489 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.329 0.585 . . . . 0.0 110.226 178.051 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.536 ' HA ' HD11 ' B' ' 620' ' ' LEU . 31.9 ttm105 -58.67 -26.19 63.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.647 174.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -65.78 -43.42 88.85 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.36 -33.24 75.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.752 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' B' ' 617' ' ' ARG . 89.7 mt -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 178.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.26 0.552 . . . . 0.0 109.596 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.66 -47.66 92.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.607 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' B' ' 620' ' ' LEU . 9.0 p -66.83 -33.89 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.009 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.476 HD22 ' O ' ' B' ' 620' ' ' LEU . 2.5 mm? -65.7 -39.1 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.114 175.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.43 -49.58 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.152 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.517 HG21 ' HB2' ' B' ' 669' ' ' ALA . 29.3 m -55.13 -43.52 74.21 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.594 0.711 . . . . 0.0 110.125 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.462 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.79 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.625 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.7 mm? -56.49 -40.79 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.48 85.56 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.365 0.602 . . . . 0.0 110.683 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.507 ' HA ' HG12 ' B' ' 633' ' ' VAL . 33.3 m -72.29 -31.65 65.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.853 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.468 HD11 ' HG ' ' B' ' 700' ' ' LEU . 20.0 mm -57.04 -50.84 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.913 172.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 78.8 mtp180 -56.79 -52.34 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.602 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' B' ' 630' ' ' THR . 13.7 p -65.32 -43.04 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.686 -175.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.558 HD22 HD12 ' B' ' 637' ' ' ILE . 30.2 mt -68.41 -36.74 79.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.364 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.54 -40.03 95.96 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.308 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.44 98.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.071 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 81.3 mt -63.35 -53.6 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.817 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . 0.466 ' HG2' HG12 ' B' ' 693' ' ' VAL . 0.0 OUTLIER -56.23 -43.46 78.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -176.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -77.09 -24.72 51.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.388 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -75.46 -34.27 60.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.205 0.526 . . . . 0.0 109.864 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.8 mt -67.69 -62.82 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 40.5 m 55.18 39.13 31.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.86 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 643' ' ' ARG . 32.3 mtm180 68.77 85.94 0.14 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.448 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 54.5 mt -94.57 151.7 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.764 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 3.8 m -72.16 159.07 34.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . 0.603 ' HA ' HE21 ' B' ' 649' ' ' GLN . . . -57.13 -37.4 71.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.16 -41.99 97.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.227 0.536 . . . . 0.0 110.054 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 45.5 mt-10 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.603 HE21 ' HA ' ' B' ' 646' ' ' ALA . 47.7 mt-30 -67.39 -27.24 66.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.511 . . . . 0.0 110.386 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.0 57.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 36.7 ttpt -63.9 -60.94 2.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.952 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -107.21 103.63 13.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.986 0.422 . . . . 0.0 109.875 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -123.04 148.16 45.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.656 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.495 HD13 HG21 ' B' ' 637' ' ' ILE . 2.5 mm? -76.68 95.9 4.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.855 0.36 . . . . 0.0 111.569 -173.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.49 -38.94 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.27 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -105.6 -17.03 14.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.122 0.487 . . . . 0.0 111.372 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 657' ' ' THR . . . . . 0.406 ' HB ' HD12 ' B' ' 654' ' ' LEU . 1.2 m -67.53 -26.38 66.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.049 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.02 -179.624 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 662' ' ' SER . . . . . 0.688 ' HB2' ' HB ' ' B' ' 665' ' ' ILE . 4.0 p . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.07 -48.34 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.12 -36.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.145 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.688 ' HB ' ' HB2' ' B' ' 662' ' ' SER . 67.5 mt -70.25 -44.58 77.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.083 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -69.23 -38.66 78.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 109.993 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -60.94 -54.92 39.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.001 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.66 -34.81 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.458 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' B' ' 626' ' ' THR . . . -64.76 -47.31 78.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.928 0.394 . . . . 0.0 110.967 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.535 HD22 HD12 ' B' ' 682' ' ' ILE . 12.9 tp -68.28 -33.45 74.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.061 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.431 ' HG2' ' HB3' ' B' ' 678' ' ' ALA . 98.2 mt-30 -73.84 -23.86 59.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.396 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.532 ' O ' HD12 ' A' ' 210' ' ' LEU . 61.6 ttm-85 -80.2 -4.34 52.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.416 HG13 ' CD2' ' B' ' 674' ' ' TYR . 15.7 pt -121.87 -39.83 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.528 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.612 ' CD1' HG13 ' B' ' 681' ' ' ILE . 82.5 m-85 -105.34 23.0 14.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 119.412 -0.327 . . . . 0.0 111.847 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -30.92 -58.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -170.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -24.0 60.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 213' ' ' ASP . 14.2 mptt -119.93 27.12 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . 0.431 ' HB3' ' HG2' ' B' ' 671' ' ' GLN . . . -59.84 -46.72 88.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.462 -175.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.47 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 111.069 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.3 -41.9 55.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.612 HG13 ' CD1' ' B' ' 674' ' ' TYR . 27.8 mm -80.39 -30.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.229 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.535 HD12 HD22 ' B' ' 670' ' ' LEU . 27.5 mm -56.61 -39.99 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.516 0.674 . . . . 0.0 109.272 171.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -76.47 -27.77 56.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.95 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -54.85 -51.36 53.71 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.677 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.4 -24.15 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.778 0.323 . . . . 0.0 111.829 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -89.77 -45.36 9.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -57.12 -57.52 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.182 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.57 87.83 17.18 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 19.2 Cg_endo -59.53 -39.27 76.85 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.427 2.084 . . . . 0.0 112.656 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.6 m -77.45 1.15 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.344 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.453 ' O ' HG13 ' B' ' 695' ' ' ILE . 56.9 mt -112.48 -56.07 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.222 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.527 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -71.72 -51.76 21.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.471 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 84.6 t -49.18 -50.89 61.15 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -173.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.8 Cg_endo -57.29 -46.8 25.68 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.008 1.805 . . . . 0.0 112.975 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.523 HD11 HD22 ' A' ' 223' ' ' LEU . 16.5 mt -68.29 -53.21 30.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.25 -43.35 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.956 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' B' ' 634' ' ' LEU . 51.4 tp -65.57 -37.56 87.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.735 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.47 -39.41 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.664 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 36.5 mmt180 -63.53 -37.15 86.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.182 0.515 . . . . 0.0 109.633 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.468 ' HG ' HD11 ' B' ' 631' ' ' ILE . 45.0 tp -71.96 -29.04 63.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.813 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 64.2 mmtt -73.29 -34.84 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.082 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 57.1 ttp -66.84 -41.32 87.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.335 0.588 . . . . 0.0 109.503 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.65 -35.44 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.38 -52.47 59.17 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 109.988 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.6 tt0 -54.55 -54.43 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.543 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -56.27 -52.91 62.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.471 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 7.3 m0 -59.94 -41.34 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -30.02 67.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 43.4 mm-40 -69.6 -38.22 77.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' B' ' 714' ' ' PHE . . . -67.53 -39.68 85.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.224 0.535 . . . . 0.0 109.792 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.421 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 34.3 tt0 -60.09 -36.23 76.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.3 ttm-85 -55.45 -46.17 76.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.7 -37.07 31.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.193 -175.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . 0.438 ' HD2' ' O ' ' B' ' 710' ' ' ALA . 93.8 m-85 -88.76 -61.64 1.66 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.01 0.405 . . . . 0.0 112.081 -177.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . 0.495 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 25.3 t-20 -65.6 -55.02 19.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.503 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.431 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 26.7 ttpp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.317 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.746 0.307 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -88.32 137.43 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -73.63 -21.07 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.794 0.331 . . . . 0.0 111.187 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 673' ' ' ILE . 6.7 mp -84.5 171.77 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.127 0.489 . . . . 0.0 111.624 -176.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.549 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 62.9 mt -100.75 -169.0 1.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.206 174.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 216' ' ' ILE . 21.6 p -104.18 138.98 39.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 172.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.85 -38.08 69.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.616 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -57.77 -45.21 86.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.25 -32.47 70.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.323 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' B' ' 677' ' ' LYS . 60.8 mt -65.23 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.405 0.622 . . . . 0.0 109.98 175.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.649 ' SD ' ' HE2' ' B' ' 677' ' ' LYS . 87.9 mmm -65.67 -38.78 90.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.606 177.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.3 -40.45 94.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.597 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 9.2 t70 -56.48 -55.08 38.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.589 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' B' ' 680' ' ' ASP . 96.0 mt -55.92 -44.89 78.75 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.753 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -59.03 -46.14 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.395 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 87.8 m -63.7 -41.08 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.737 HD23 HD11 ' B' ' 695' ' ' ILE . 89.4 mt -53.99 -38.42 65.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.921 0.391 . . . . 0.0 111.395 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.744 -174.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 2.2 tp10 . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 121.524 0.678 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.409 ' HA ' HD12 ' B' ' 620' ' ' LEU . 0.1 OUTLIER -64.25 -38.56 91.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.999 179.007 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . 0.467 ' O ' HG21 ' B' ' 622' ' ' VAL . 80.1 t80 -59.91 -45.47 92.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.606 ' O ' HG23 ' B' ' 623' ' ' VAL . 42.3 tt0 -62.48 -38.63 90.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.23 177.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.485 ' O ' HD21 ' B' ' 624' ' ' LEU . 93.7 mt -57.7 -46.1 84.81 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.59 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . 0.448 ' HA ' ' NE2' ' B' ' 711' ' ' GLN . 1.9 m-20 -63.8 -40.94 97.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.945 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . 0.467 HG21 ' O ' ' B' ' 618' ' ' PHE . 96.4 t -60.41 -46.52 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 619' ' ' GLU . 84.5 t -56.1 -57.02 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.485 HD21 ' O ' ' B' ' 620' ' ' LEU . 4.4 mm? -58.03 -47.4 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.571 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.89 -46.98 82.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.479 HG21 ' HB1' ' B' ' 669' ' ' ALA . 28.4 m -62.11 -35.08 77.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.297 0.57 . . . . 0.0 109.999 178.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.401 HD21 HD23 ' B' ' 628' ' ' LEU . 6.5 t30 -62.05 -53.52 54.38 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.09 175.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.401 HD23 HD21 ' B' ' 627' ' ' ASN . 3.6 mm? -56.47 -39.8 73.8 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.445 0.466 . . . . 0.0 111.52 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.2 89.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 110.366 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 41.9 m -68.46 -39.26 81.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.064 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.591 HD12 ' HG ' ' B' ' 700' ' ' LEU . 32.0 mm -58.78 -55.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.482 174.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 632' ' ' ARG . 27.4 mtm180 -56.05 -46.03 79.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.965 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.491 ' O ' HG13 ' B' ' 637' ' ' ILE . 11.6 p -68.58 -44.28 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.221 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.582 HD23 HD12 ' B' ' 637' ' ' ILE . 46.2 mt -67.6 -35.7 79.46 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.265 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.96 -44.43 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.722 0.296 . . . . 0.0 110.229 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.253 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.61 HG22 HD23 ' B' ' 654' ' ' LEU . 95.2 mt -66.17 -52.48 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.178 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -57.55 -46.83 83.44 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.345 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -72.44 -24.24 61.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.766 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -76.14 -40.2 53.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.087 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.0 mt -59.06 -58.81 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 642' ' ' SER . . . . . 0.516 ' HG ' ' C ' ' B' ' 641' ' ' LEU . 11.8 p 47.19 41.93 12.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.343 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . 0.635 ' HA ' ' OG ' ' B' ' 690' ' ' SER . 71.8 mtp180 65.8 93.71 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.565 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.591 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 78.8 mt -97.6 153.64 18.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.073 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.4 m -80.77 173.96 12.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.736 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.82 79.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 0.0 111.616 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.01 -38.48 86.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.591 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.4 mt-10 -68.73 -34.16 75.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.2 mt-30 -72.57 -23.05 60.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.001 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.09 -38.86 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.92 -59.29 3.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.128 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -110.69 105.29 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.702 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 28.4 ttm180 -130.03 160.11 34.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.719 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.61 HD23 HG22 ' B' ' 637' ' ' ILE . 87.2 mt -73.53 83.68 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.268 0.556 . . . . 0.0 111.408 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.72 -74.73 0.62 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.687 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.67 -28.07 19.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.1 m -66.3 -32.06 73.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.372 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.44 HD21 HD13 ' B' ' 654' ' ' LEU . 52.4 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.093 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.771 0.32 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -55.53 -60.27 3.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.074 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.01 -37.16 33.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.612 0.57 . . . . 0.0 111.857 -173.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.54 -51.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.069 0.462 . . . . 0.0 111.0 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -82.32 -32.23 29.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 110.155 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -59.21 -51.07 71.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.443 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -69.07 -41.79 77.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.479 ' HB1' HG21 ' B' ' 626' ' ' THR . . . -61.04 -42.17 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 17.0 tp -69.71 -37.12 76.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.32 -23.7 64.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.374 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.434 ' O ' ' HG ' ' A' ' 210' ' ' LEU . 41.3 ttm180 -60.42 -28.54 68.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.644 0.259 . . . . 0.0 111.01 177.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.549 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.1 pt -110.24 -41.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.04 27.65 5.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.459 -176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.93 0.35 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.11 -36.87 72.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.649 ' HE2' ' SD ' ' A' ' 217' ' ' MET . 46.7 mmtm -114.77 26.74 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.366 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.94 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.701 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . 0.422 ' HB3' ' CD2' ' A' ' 220' ' ' LEU . 4.2 m-20 -77.9 -41.57 36.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.776 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 50.5 mm -65.1 -47.01 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.063 0.458 . . . . 0.0 110.231 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.84 -38.8 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.68 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' B' ' 687' ' ' LYS . 17.2 t70 -56.58 -50.16 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.188 172.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.74 99.75 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.368 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.704 HD22 HG21 ' B' ' 696' ' ' VAL . 72.1 mt -56.77 -45.41 82.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 0.0 111.126 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.506 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 65.4 mtp180 -91.93 17.11 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 -177.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' B' ' 683' ' ' ASP . 2.7 tppp? -116.82 -57.87 2.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -133.8 82.64 49.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.937 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.44 -27.74 54.48 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.184 1.923 . . . . 0.0 112.154 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 690' ' ' SER . . . . . 0.635 ' OG ' ' HA ' ' B' ' 643' ' ' ARG . 11.5 t -74.86 -6.13 47.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.237 0.541 . . . . 0.0 110.434 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 68.3 mt -111.54 -53.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.01 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.581 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -68.83 -51.06 44.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.622 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.508 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 90.8 t -53.94 -49.3 90.39 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.508 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.3 Cg_exo -55.77 -41.19 79.96 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.697 1.598 . . . . 0.0 112.604 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.737 HD11 HD23 ' A' ' 223' ' ' LEU . 51.4 mt -71.09 -50.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.778 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.704 HG21 HD22 ' B' ' 685' ' ' LEU . 17.9 m -64.19 -35.08 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.87 -36.04 81.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.37 -44.19 92.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.196 0.522 . . . . 0.0 109.759 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -46.84 86.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.059 175.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.591 ' HG ' HD12 ' B' ' 631' ' ' ILE . 27.0 tp -66.07 -36.44 83.22 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.194 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.68 -42.29 91.45 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.094 0.474 . . . . 0.0 110.411 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 702' ' ' MET . . . . . 0.409 ' HE3' ' HB3' ' B' ' 702' ' ' MET . 12.4 tmm? -59.84 -46.52 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.097 175.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -71.43 -32.63 68.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.91 -51.23 70.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 44.0 mt-10 -61.03 -39.05 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.448 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.0 -54.38 47.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.827 0.346 . . . . 0.0 110.115 177.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -61.01 -44.23 97.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.754 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -65.18 -42.21 93.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 25.2 mt-10 -66.47 -37.49 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.468 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' B' ' 621' ' ' ASP . 37.7 tt0 -63.98 -34.2 77.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.573 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.51 -42.79 99.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -67.98 -35.27 83.86 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.067 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -88.67 -64.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.923 0.362 . . . . 0.0 111.74 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -70.12 -56.08 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.314 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 21.2 tptm . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.073 -173.546 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.446 -0.662 0 CA-C-O 121.051 0.453 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.86 -27.25 40.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.176 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.693 ' HB3' ' HD2' ' B' ' 672' ' ' ARG . 85.2 m-85 69.74 -62.36 0.42 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 18.8 tp -62.7 156.83 22.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.786 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.99 164.82 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' THR . . . . . 0.429 ' O ' HG13 ' A' ' 216' ' ' ILE . 24.6 p -68.1 147.4 52.38 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.009 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.14 -38.58 58.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.43 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.58 -36.91 81.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.267 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -77.1 -31.01 55.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.595 0.236 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.479 HG12 ' HD1' ' B' ' 674' ' ' TYR . 75.1 mt -59.67 -50.32 80.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.588 0.709 . . . . 0.0 109.719 174.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 40.6 ttm -68.41 -28.11 66.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.637 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.46 -49.88 76.07 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 13.0 m-20 -63.11 -46.36 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.479 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.74 -36.53 79.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.936 0.398 . . . . 0.0 110.325 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.72 -34.02 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.17 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 88.4 m -62.51 -41.02 98.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.174 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 71.4 mt -61.9 -36.86 82.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.274 0.559 . . . . 0.0 110.046 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.673 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -51.46 -46.19 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.577 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.12 -42.49 94.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.798 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . 0.403 ' O ' HG13 ' B' ' 623' ' ' VAL . 17.7 tt0 -67.11 -33.67 75.95 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.264 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.405 ' O ' HD21 ' B' ' 624' ' ' LEU . 3.7 mm? -66.65 -49.47 66.1 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.649 0.261 . . . . 0.0 110.574 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.24 -39.63 87.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.277 . . . . 0.0 111.134 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.26 -51.54 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.436 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.403 HG13 ' O ' ' B' ' 619' ' ' GLU . 14.2 p -64.34 -39.4 85.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.8 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.0 mm? -64.51 -45.46 87.15 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.042 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.64 -50.8 67.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.768 0.318 . . . . 0.0 110.72 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 626' ' ' THR . . . . . . . . . . . . . 20.3 m -57.58 -43.24 84.41 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.441 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.414 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.3 t30 -63.65 -49.6 72.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.925 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.14 -38.66 80.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.11 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 110.204 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 35.2 m -66.07 -39.52 90.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.901 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.58 HD11 ' HG ' ' B' ' 700' ' ' LEU . 29.7 mm -57.46 -55.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.72 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -59.24 -42.86 92.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.819 -175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.534 ' O ' HG13 ' B' ' 637' ' ' ILE . 14.8 p -70.32 -42.0 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.884 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.572 HD21 HD13 ' B' ' 637' ' ' ILE . 38.5 mt -68.29 -38.87 82.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.312 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.577 ' HG2' HD22 ' B' ' 697' ' ' LEU . 2.2 mt-10 -66.78 -34.09 77.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.617 0.246 . . . . 0.0 110.422 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.75 86.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 109.935 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.572 HD13 HD21 ' B' ' 634' ' ' LEU . 96.8 mt -60.33 -51.98 66.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.669 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . 0.427 HE22 ' HG3' ' B' ' 694' ' ' PRO . 6.2 tp60 -59.52 -37.27 77.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.866 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -64.77 -34.69 78.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.62 -30.04 33.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 76.1 mt -70.55 -68.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.793 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.8 t 62.24 18.24 9.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.645 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . 0.497 ' HA ' ' HB3' ' B' ' 690' ' ' SER . 56.6 mtt85 71.62 92.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.997 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 88.9 mt -101.59 174.34 6.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.0 m -79.88 169.65 17.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.089 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.8 82.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.038 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.31 -40.72 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.971 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.657 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.8 mt-10 -79.8 -29.36 40.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -176.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -73.86 -33.6 64.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.7 -21.85 57.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.354 0.597 . . . . 0.0 109.777 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.08 -61.08 2.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.795 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -105.34 88.74 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.448 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' B' ' 686' ' ' ARG . 44.7 ttp180 -107.25 152.16 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.76 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.503 HD21 HG23 ' B' ' 637' ' ' ILE . 52.3 mt -80.51 97.11 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -107.35 -84.07 0.53 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.232 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -74.84 -17.29 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 3.3 m -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.171 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.383 -178.372 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.36 -27.8 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.07 -48.02 79.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.54 -36.45 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.727 0.299 . . . . 0.0 111.034 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . 0.442 ' HE2' HG22 ' B' ' 633' ' ' VAL . 74.0 m80 -65.82 -54.04 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.49 -176.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 36.1 ttp180 -71.23 -39.39 71.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.53 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.8 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.52 86.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 0.0 110.536 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -38.25 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 110.014 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 93.8 mt-30 -72.97 -24.24 60.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.813 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.693 ' HD2' ' HB3' ' A' ' 209' ' ' TYR . 17.6 tpp180 -67.67 -28.06 67.37 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.578 177.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.4 HD11 HD13 ' B' ' 700' ' ' LEU . 32.4 pt -101.62 -30.62 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.479 ' HD1' HG12 ' A' ' 216' ' ' ILE . 42.3 m-85 -137.97 52.44 1.86 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.377 0.132 . . . . 0.0 111.173 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -39.79 -54.65 2.08 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.49 -3.13 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.538 ' O ' HG12 ' B' ' 681' ' ' ILE . 7.5 tppt? -141.62 14.31 2.14 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.567 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.5 88.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.43 78.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.859 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.44 -35.62 79.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.298 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 677' ' ' LYS . 41.1 mm -73.16 -37.7 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.624 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.51 -39.97 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.755 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.24 -40.69 98.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.44 -45.59 94.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.115 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.646 HD21 HG13 ' B' ' 696' ' ' VAL . 95.8 mt -59.41 -40.99 88.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.985 0.421 . . . . 0.0 110.765 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' B' ' 653' ' ' ARG . 1.0 OUTLIER -65.46 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -77.46 -25.78 50.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.646 -168.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . 0.417 ' HB3' HD12 ' B' ' 691' ' ' ILE . 10.4 m120 -130.92 62.68 66.88 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 122.339 -0.225 . . . . 0.0 110.892 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.464 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 32.9 Cg_endo -63.67 -37.93 43.69 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.056 1.837 . . . . 0.0 112.689 -173.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 690' ' ' SER . . . . . 0.497 ' HB3' ' HA ' ' B' ' 643' ' ' ARG . 50.9 m -74.84 -2.69 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.858 -0.526 . . . . 0.0 111.107 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . 0.417 HD12 ' HB3' ' B' ' 688' ' ' ASN . 42.3 mt -106.19 -62.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.013 177.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.46 -39.26 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.592 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 64.4 t -54.46 -55.23 39.71 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -53.77 -46.81 30.94 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.101 1.867 . . . . 0.0 112.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.8 -50.91 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.646 HG13 HD21 ' B' ' 685' ' ' LEU . 0.8 OUTLIER -65.83 -34.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -176.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' B' ' 635' ' ' GLU . 59.0 tp -68.32 -37.0 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.205 177.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.81 -45.26 95.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.423 ' HG3' ' HH ' ' B' ' 674' ' ' TYR . 35.7 mmt180 -65.7 -40.33 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.553 178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' B' ' 631' ' ' ILE . 31.3 tp -71.43 -33.34 69.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.076 -175.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.443 ' HD2' ' HA ' ' B' ' 701' ' ' LYS . 7.7 tptm -70.39 -38.11 74.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.803 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 51.0 ttp -61.62 -45.04 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.076 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.467 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 53.8 mmtt -68.18 -36.36 79.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.245 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.402 ' HG3' HG13 ' B' ' 631' ' ' ILE . 2.8 tm-20 -55.89 -44.6 78.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.78 -47.36 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.372 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.51 -49.15 77.24 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 6.7 m0 -64.26 -39.28 93.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -35.14 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.982 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.03 -32.8 69.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.4 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.55 -44.74 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -63.1 -35.04 78.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.985 0.421 . . . . 0.0 110.016 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.605 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 60.2 ttp180 -65.23 -39.8 93.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.759 174.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -61.82 -45.99 95.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.765 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -88.62 -66.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.954 0.377 . . . . 0.0 111.773 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.29 -53.53 42.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 111.865 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.605 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 58.3 tptt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.242 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 121.333 0.587 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.56 -40.61 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.584 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.482 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 49.9 m-85 68.53 -59.85 0.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.577 0.751 . . . . 0.0 111.655 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 34.8 tp -68.56 163.65 23.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.121 0.568 . . . . 0.0 111.013 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' B' ' 673' ' ' ILE . 5.5 mt -91.63 139.14 30.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.81 0.338 . . . . 0.0 110.1 173.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.6 m -62.96 137.54 58.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.805 174.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.9 -22.33 47.88 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.754 0.312 . . . . 0.0 111.034 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.71 -55.3 27.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -68.16 -37.66 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.637 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.55 -52.95 55.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.997 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.37 -32.53 73.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.421 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.06 -46.99 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.074 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.23 -50.85 71.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.1 mp -54.82 -46.54 74.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.106 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.66 -37.99 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.7 m -64.01 -46.46 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.744 0.307 . . . . 0.0 110.355 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.83 -31.89 72.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.374 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.767 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 8.1 tp10 . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -59.76 -36.76 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.365 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.34 -48.16 81.43 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.68 -32.56 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.495 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 92.5 mt -65.62 -44.4 86.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.988 0.423 . . . . 0.0 110.481 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.46 -49.48 77.62 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.104 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.0 -50.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.868 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.82 -40.68 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.415 HD23 ' O ' ' B' ' 620' ' ' LEU . 3.3 mm? -63.64 -45.79 88.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.453 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.509 HG22 ' HB2' ' B' ' 669' ' ' ALA . 10.7 m -66.79 -39.47 87.78 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.304 0.574 . . . . 0.0 110.188 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.484 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -58.61 -52.14 66.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.365 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -40.77 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.236 -177.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.56 88.6 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 24.1 m -69.34 -37.25 77.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.511 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 627' ' ' ASN . 32.8 mm -58.58 -50.16 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.173 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -56.23 -50.83 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.9 p -65.29 -41.7 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.499 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' B' ' 697' ' ' LEU . 32.6 mt -70.04 -38.09 75.76 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.494 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -59.04 -43.26 91.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.96 0.409 . . . . 0.0 110.586 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.586 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.8 mm -65.35 -46.21 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.914 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -55.45 -48.2 74.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -63.38 -37.84 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.416 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 26.3 tttp -73.64 -37.28 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 68.1 mt -69.55 -55.22 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p 50.51 30.01 4.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.163 0.585 . . . . 0.0 111.232 -175.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 62.42 91.85 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.623 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 85.5 mt -94.82 174.01 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.626 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 54.0 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.094 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.27 -49.85 66.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.12 -29.98 71.07 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.655 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.1 mt-10 -79.43 -34.47 41.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 645' ' ' SER . 78.1 mt-30 -66.65 -32.13 73.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.227 0.537 . . . . 0.0 110.354 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.47 57.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.47 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -73.27 -50.68 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.672 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.487 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 77.8 t80 -102.01 102.19 12.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.212 0.53 . . . . 0.0 110.132 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 12.2 ttp180 -126.16 157.3 38.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.529 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.679 HD11 HD13 ' B' ' 658' ' ' LEU . 1.9 mm? -72.05 91.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -123.08 -57.66 1.68 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -87.95 -50.32 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.9 m -56.59 -50.55 71.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.679 HD13 HD11 ' B' ' 654' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.236 0.393 0 CA-C-O 120.865 0.364 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' B' ' 664' ' ' VAL . 8.5 pt-20 -63.02 -44.29 96.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' B' ' 663' ' ' GLU . 8.4 p -66.8 -33.73 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.659 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.19 -57.45 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.217 0.532 . . . . 0.0 110.641 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -70.11 -36.26 74.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.034 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 70.9 ttt180 -62.88 -52.68 62.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.491 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.5 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.057 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.37 -42.18 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.458 . . . . 0.0 110.511 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.504 HD12 HD11 ' B' ' 673' ' ' ILE . 21.7 tp -72.75 -32.14 65.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.186 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 56.7 mt-30 -68.55 -25.8 65.1 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.575 0.226 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 211' ' ' LEU . 31.5 pt -100.36 -38.23 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.314 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.5 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 32.0 m-85 -101.25 28.2 5.59 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.34 -34.73 2.07 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.97 -36.19 64.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -136.91 34.5 2.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 111.078 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.19 86.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.84 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -79.68 -47.6 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.796 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.75 -40.22 87.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.582 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.36 -40.03 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.11 -39.62 90.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.315 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.0 92.7 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.195 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.547 HD21 HG11 ' B' ' 696' ' ' VAL . 95.2 mt -62.56 -38.21 89.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.6 177.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.506 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 13.8 tpt180 -81.62 13.6 3.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.925 -175.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -142.9 -48.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.273 -0.267 . . . . 0.0 111.557 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -128.03 85.67 60.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.43 . . . . 0.0 110.429 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.446 ' HB3' HD23 ' B' ' 654' ' ' LEU . 24.7 Cg_endo -61.1 -54.1 2.07 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.712 2.274 . . . . 0.0 112.815 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 690' ' ' SER . . . . . 0.435 ' HB3' ' CD ' ' B' ' 649' ' ' GLN . 23.1 t -69.73 -2.83 12.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -172.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 62.7 mt -100.29 -56.09 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.23 40.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.434 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 50.8 t -54.36 -56.15 29.61 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.3 Cg_endo -55.31 -45.57 39.18 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.892 1.728 . . . . 0.0 112.613 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 18.4 mt -66.96 -54.84 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -177.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.547 HG11 HD21 ' B' ' 685' ' ' LEU . 3.1 p -62.5 -35.44 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.851 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' B' ' 634' ' ' LEU . 53.3 tp -63.65 -41.79 98.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.528 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.14 -36.28 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.905 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 28.0 mmt180 -62.59 -46.63 87.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.509 0.671 . . . . 0.0 109.531 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.12 -29.79 68.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.382 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' B' ' 697' ' ' LEU . 7.9 tptm -69.21 -45.58 69.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -70.43 -31.55 68.77 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.525 ' HG2' HG21 ' B' ' 673' ' ' ILE . 7.8 tptp -68.62 -35.99 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.93 -46.49 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.173 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.34 -33.61 75.03 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -69.43 -44.38 71.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.899 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.482 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 4.6 m0 -64.27 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.613 0.244 . . . . 0.0 110.602 176.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' B' ' 712' ' ' ARG . 20.9 mmt180 -60.0 -44.46 94.52 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.501 172.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.63 -43.57 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.65 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.698 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.18 -39.56 93.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.481 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 67.0 mtt180 -61.97 -46.85 87.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.544 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.58 78.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.227 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -89.1 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -67.31 -52.72 37.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.957 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 64.9 tttp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -97.79 -37.08 10.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.684 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 43.1 m-85 69.76 -57.92 0.54 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.901 0.751 . . . . 0.0 111.972 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.545 HD23 ' O ' ' B' ' 672' ' ' ARG . 45.3 mt -75.06 -172.95 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 112.054 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.454 ' HB2' HD13 ' A' ' 216' ' ' ILE . 82.0 mt -126.22 151.52 47.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.219 173.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 63.4 m -68.93 149.58 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.04 -40.99 24.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.021 0.528 . . . . 0.0 112.026 -177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -54.56 -48.11 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.72 -36.59 82.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 211' ' ' LEU . 44.1 mm -62.15 -56.92 14.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 26.4 tpp -66.62 -30.48 70.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.482 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.49 -46.06 80.68 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.978 174.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 2.2 t70 -59.35 -53.46 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.496 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.82 -50.12 61.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.665 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.02 -36.04 83.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 74.3 m -71.32 -35.3 71.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.846 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.6 mt -61.4 -36.32 79.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.284 0.564 . . . . 0.0 110.592 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.821 179.313 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.269 0.557 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -66.17 -33.72 76.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.153 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -62.16 -40.81 97.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.24 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.18 -40.83 98.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.962 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' B' ' 623' ' ' VAL . 92.7 mt -60.73 -45.43 94.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.989 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -65.07 -38.58 91.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.89 -46.7 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.209 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' B' ' 620' ' ' LEU . 14.6 p -68.1 -37.01 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.993 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -67.28 -40.98 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 177.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.453 HG22 ' HB3' ' B' ' 669' ' ' ALA . 15.6 m -63.63 -33.3 75.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.4 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.552 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -60.36 -56.41 21.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 175.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.86 -40.73 85.17 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.415 0.447 . . . . 0.0 110.529 -178.02 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.21 90.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.222 0.534 . . . . 0.0 110.723 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.491 HG21 HD21 ' B' ' 634' ' ' LEU . 28.3 m -70.29 -34.29 72.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.376 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.6 mm -58.04 -48.2 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 63.0 mtt180 -55.26 -54.76 39.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.226 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' B' ' 630' ' ' THR . 12.1 p -66.05 -38.12 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.345 -177.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.937 ' HB3' HD12 ' B' ' 697' ' ' LEU . 2.3 mm? -63.84 -47.85 79.13 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.527 -0.108 . . . . 0.0 111.245 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -59.14 -37.34 77.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.19 66.73 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.485 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.9 mm -63.31 -46.78 94.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.64 -42.43 78.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.264 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -71.45 -40.07 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 40.7 tttm -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 70.2 mt -73.83 -70.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.768 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.4 m 50.28 40.92 23.54 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.029 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 61.51 92.24 0.05 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.321 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.74 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.3 mt -91.2 154.2 19.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.08 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 645' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 7.7 m -67.77 168.57 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -49.92 -53.16 27.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.139 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.74 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 46.2 mt-10 -71.21 -42.23 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -176.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.484 ' HB2' ' HG2' ' B' ' 689' ' ' PRO . 11.8 pt20 -79.28 -21.91 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.79 58.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.636 170.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.73 -51.89 11.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.981 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . 0.455 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 58.6 t80 -102.23 98.51 8.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.614 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.571 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.4 ttp180 -116.14 148.84 39.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.447 -177.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . 0.451 HD21 HD23 ' B' ' 658' ' ' LEU . 6.6 mp -78.66 141.16 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.964 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . 0.412 ' H ' HG22 ' B' ' 657' ' ' THR . 44.3 t0 -172.99 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -94.22 -9.65 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 657' ' ' THR . . . . . 0.412 HG22 ' H ' ' B' ' 655' ' ' ASP . 8.8 t -70.52 -3.57 18.58 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.787 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.451 HD23 HD21 ' B' ' 654' ' ' LEU . 97.6 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.588 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 662' ' ' SER . . . . . 0.416 ' HB3' HD13 ' B' ' 665' ' ' ILE . 6.6 m . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.668 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.0 -41.91 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.832 -174.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.416 HD13 ' HB3' ' B' ' 662' ' ' SER . 19.3 pt -66.12 -45.36 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.477 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.03 -45.8 76.39 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.945 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.786 ' HG3' HG12 ' B' ' 682' ' ' ILE . 43.6 ttm180 -58.92 -51.58 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.312 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -62.4 -36.25 81.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.421 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . 0.453 ' HB3' HG22 ' B' ' 626' ' ' THR . . . -60.86 -43.44 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.829 0.347 . . . . 0.0 110.438 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 24.7 tp -71.9 -27.34 62.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.341 0.591 . . . . 0.0 110.265 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.662 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 93.0 mt-30 -72.82 -23.87 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.493 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.545 ' O ' HD23 ' A' ' 210' ' ' LEU . 52.9 mtp180 -73.41 -6.65 47.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.621 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.741 HG21 ' HG3' ' B' ' 703' ' ' LYS . 35.0 pt -115.63 -35.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.646 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.74 32.19 4.03 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.683 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.89 -58.49 0.52 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -63.48 -42.62 98.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' B' ' 677' ' ' LYS . 64.9 mmtt -109.53 31.05 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 0.0 111.294 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . 0.65 ' HB3' ' HG2' ' B' ' 671' ' ' GLN . . . -56.94 -35.39 69.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.535 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.77 83.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.23 -41.24 67.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 44.6 mm -63.87 -46.49 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.938 0.399 . . . . 0.0 110.712 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . 0.786 HG12 ' HG3' ' B' ' 667' ' ' ARG . 1.8 mp -66.02 -36.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.059 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.71 -41.7 98.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 175.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.39 -37.88 95.52 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.505 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.865 HD21 HG22 ' B' ' 696' ' ' VAL . 93.8 mt -59.71 -38.03 80.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.442 0.639 . . . . 0.0 110.713 175.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.571 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 37.4 mtp-105 -88.77 18.57 4.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.548 -176.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 32.7 ttmt -140.18 -57.7 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 -175.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -121.15 80.18 35.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.353 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.484 ' HG2' ' HB2' ' B' ' 649' ' ' GLN . 56.6 Cg_endo -71.11 -36.13 7.79 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.65 2.233 . . . . 0.0 113.075 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 33.6 m -73.36 -0.95 16.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 81.0 mt -117.3 -57.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -72.55 -45.61 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -173.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.495 ' HA ' HG21 ' B' ' 696' ' ' VAL . 74.7 t -54.35 -50.51 84.57 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -174.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.486 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 80.8 Cg_exo -51.77 -45.54 37.61 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.623 1.549 . . . . 0.0 112.545 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.544 HD13 HD21 ' A' ' 223' ' ' LEU . 19.4 mt -70.33 -48.68 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.865 HG22 HD21 ' B' ' 685' ' ' LEU . 27.2 m -66.16 -41.24 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.937 HD12 ' HB3' ' B' ' 634' ' ' LEU . 33.2 tp -66.59 -37.17 84.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.43 . . . . 0.0 110.039 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 694' ' ' PRO . 34.8 ttmt -68.21 -43.31 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -67.52 -36.37 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.621 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.88 -34.89 78.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.525 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 2.1 tptm -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.011 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.7 ttp -64.05 -40.36 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.261 0.553 . . . . 0.0 109.574 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.741 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.0 mmtt -70.56 -32.65 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.038 176.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 30.8 tt0 -53.56 -50.36 65.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 172.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 25.4 mm-40 -55.61 -53.67 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.968 175.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.26 -52.62 62.81 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.642 0.589 . . . . 0.0 111.393 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.684 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 11.0 m0 -67.78 -35.0 77.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.537 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -64.46 -50.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.423 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.3 pt-20 -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.747 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.13 75.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 0.0 110.309 174.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -66.58 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.322 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.64 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 28.5 ttm180 -67.52 -41.55 84.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -71.76 -40.15 58.76 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.839 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -88.78 -64.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -76.16 -49.62 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -176.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 121.413 0.625 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.71 89.48 5.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.93 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' TYR . . . . . 0.637 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 51.0 m-85 -68.13 -45.18 74.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.492 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 42.2 tp -68.08 160.17 29.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.173 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' LEU . . . . . 0.467 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 71.8 mt -99.29 137.7 37.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 7.6 p -62.36 142.59 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.934 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.64 -33.0 44.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.949 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -54.55 -48.56 71.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.61 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -71.62 -34.47 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.736 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.0 -52.23 60.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 110.499 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 217' ' ' MET . . . . . 0.505 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 0.8 OUTLIER -65.08 -36.87 85.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.719 178.429 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.65 -44.35 96.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.414 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' ASP . . . . . 0.488 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 51.0 m-20 -62.99 -43.85 97.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' B' ' 677' ' ' LYS . 41.2 mt -60.03 -39.25 85.24 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.248 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 217' ' ' MET . 87.5 mtt180 -60.35 -47.65 85.16 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.487 0.661 . . . . 0.0 109.916 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 222' ' ' THR . . . . . 0.422 HG21 ' CD1' ' B' ' 695' ' ' ILE . 22.4 m -65.51 -29.19 69.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.481 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 223' ' ' LEU . . . . . 0.579 HD22 HD13 ' B' ' 695' ' ' ILE . 94.2 mt -66.38 -15.06 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.823 0.344 . . . . 0.0 111.424 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.239 0.542 . . . . 0.0 110.228 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.237 0.419 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 617' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' B' ' 617' ' ' ARG . 9.8 ttt180 -61.66 -33.18 73.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.826 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -64.25 -39.07 93.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.036 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -70.78 -39.11 73.36 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.624 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 620' ' ' LEU . . . . . 0.505 ' HA ' HG13 ' B' ' 623' ' ' VAL . 97.0 mt -62.41 -46.3 89.21 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.071 0.462 . . . . 0.0 110.712 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.03 -46.54 85.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.729 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.15 -51.04 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.787 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 623' ' ' VAL . . . . . 0.505 HG13 ' HA ' ' B' ' 620' ' ' LEU . 14.5 p -62.74 -38.06 80.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.084 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 624' ' ' LEU . . . . . 0.481 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 1.9 mm? -66.59 -42.09 87.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.738 0.304 . . . . 0.0 110.611 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.39 -48.74 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 626' ' ' THR . . . . . 0.649 HG21 ' HB ' ' B' ' 665' ' ' ILE . 26.8 m -60.23 -39.36 86.43 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.292 0.568 . . . . 0.0 110.315 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 627' ' ' ASN . . . . . 0.482 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.8 t-20 -60.15 -57.73 11.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.407 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.6 -30.95 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.42 75.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 630' ' ' THR . . . . . 0.539 HG22 HD21 ' B' ' 634' ' ' LEU . 28.5 m -67.12 -38.13 85.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 178.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 631' ' ' ILE . . . . . 0.523 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 32.1 mm -55.41 -55.12 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -63.1 -40.85 98.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.703 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 633' ' ' VAL . . . . . 0.608 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.9 p -69.92 -37.08 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.524 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 634' ' ' LEU . . . . . 0.988 ' HB3' HD11 ' B' ' 697' ' ' LEU . 1.4 mm? -62.0 -50.07 73.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.636 0.255 . . . . 0.0 110.857 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 635' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 46.0 mt-10 -58.2 -42.4 86.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.94 87.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 637' ' ' ILE . . . . . 0.608 HG12 ' O ' ' B' ' 633' ' ' VAL . 43.9 mm -61.35 -45.66 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.934 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -59.95 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.78 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 639' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 68.3 mttm -66.28 -46.7 76.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 178.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -66.54 -28.48 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 641' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 86.8 mt -75.22 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 60.41 26.63 16.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.092 -174.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 61.38 89.08 0.08 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.298 -174.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 644' ' ' LEU . . . . . 0.711 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 94.9 mt -85.83 162.04 18.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.142 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 2.0 m -80.39 173.96 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.947 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -54.58 -48.76 71.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.79 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.766 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 648' ' ' GLU . . . . . 0.711 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.0 mt-10 -75.31 -28.7 59.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.698 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 649' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.6 mt-30 -71.49 -31.73 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.265 174.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.84 58.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -75.18 -59.54 2.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.434 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -110.02 99.97 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 653' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 43.7 ttm180 -120.49 158.6 26.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.478 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 52.5 mt -80.82 133.5 35.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -162.58 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.77 173.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -81.01 -12.71 59.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.723 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 657' ' ' THR . . . . . 0.58 ' HB ' HD12 ' B' ' 658' ' ' LEU . 0.0 OUTLIER -55.79 -45.36 78.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.578 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 658' ' ' LEU . . . . . 0.58 HD12 ' HB ' ' B' ' 657' ' ' THR . 4.9 mp . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.24 90.17 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.21 -40.74 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.997 -175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 665' ' ' ILE . . . . . 0.649 ' HB ' HG21 ' B' ' 626' ' ' THR . 37.4 pt -71.6 -35.45 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.935 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -72.8 -44.56 61.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 667' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 4.7 tpp180 -59.12 -54.43 47.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.589 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -62.11 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.442 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.23 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.569 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 670' ' ' LEU . . . . . 0.626 HD12 HD12 ' B' ' 673' ' ' ILE . 13.6 tp -72.76 -28.98 62.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.136 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 671' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 50.0 mt-30 -75.9 -24.81 55.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.305 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 672' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 64.1 mtp180 -76.46 -10.96 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.001 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 673' ' ' ILE . . . . . 0.626 HD12 HD12 ' B' ' 670' ' ' LEU . 21.4 pt -114.32 -37.28 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.594 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 674' ' ' TYR . . . . . 0.42 ' CD2' HG13 ' B' ' 673' ' ' ILE . 80.2 m-85 -108.13 33.26 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.461 -0.149 . . . . 0.0 110.64 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.12 -52.21 0.77 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.66 -7.29 58.44 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -171.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 677' ' ' LYS . . . . . 0.68 ' HG2' HD12 ' A' ' 220' ' ' LEU . 20.3 tptt -150.78 37.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 110.721 -173.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -76.27 -38.66 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.988 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.86 76.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.194 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.39 -23.72 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 42.1 mm -79.81 -44.59 23.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.35 -41.25 86.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.36 -41.31 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.661 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.23 52.77 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.513 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 685' ' ' LEU . . . . . 0.67 HD21 HG12 ' B' ' 696' ' ' VAL . 94.4 mt -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 111.62 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 686' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 10.5 mpt_? -86.67 17.9 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -177.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -138.2 -50.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.672 0.272 . . . . 0.0 111.133 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -126.71 79.62 71.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.551 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 689' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 53.9 Cg_endo -69.44 -19.29 37.86 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.572 2.181 . . . . 0.0 112.9 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 21.5 t -76.3 -17.71 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.2 0.524 . . . . 0.0 109.763 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 45.9 mt -104.25 -63.18 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.063 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 692' ' ' ALA . . . . . 0.421 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -66.65 -43.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 693' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 81.0 t -55.77 -57.18 22.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 119.299 -0.381 . . . . 0.0 111.586 -176.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 694' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 84.8 Cg_exo -49.88 -50.4 13.35 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.441 2.094 . . . . 0.0 113.089 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 695' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 223' ' ' LEU . 47.9 mt -62.86 -57.31 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 696' ' ' VAL . . . . . 0.67 HG12 HD21 ' B' ' 685' ' ' LEU . 1.4 p -63.32 -34.79 69.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.584 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 697' ' ' LEU . . . . . 0.988 HD11 ' HB3' ' B' ' 634' ' ' LEU . 37.0 tp -62.29 -47.98 81.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -60.03 -43.14 95.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.71 0.291 . . . . 0.0 111.115 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 699' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' B' ' 702' ' ' MET . 21.5 tpp180 -61.69 -40.75 96.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 109.924 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 700' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.8 tp -71.41 -35.96 71.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.69 -178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 701' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 32.3 mmmt -67.72 -41.12 84.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.299 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 702' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -70.41 -32.45 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.022 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 703' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' B' ' 703' ' ' LYS . 7.4 tptm -72.48 -36.22 68.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 704' ' ' GLU . . . . . 0.433 ' OE1' HG22 ' B' ' 631' ' ' ILE . 4.2 tt0 -54.47 -52.52 61.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.261 0.553 . . . . 0.0 110.213 173.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.05 -46.31 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.89 -45.75 92.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 707' ' ' TRP . . . . . 0.637 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 3.6 m0 -62.62 -44.78 95.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.335 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -61.93 -41.08 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.866 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -63.39 -39.13 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.28 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.382 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 711' ' ' GLN . . . . . 0.481 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 1.1 tt0 -60.35 -39.78 88.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.066 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 712' ' ' ARG . . . . . 0.508 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 23.7 ttm180 -63.64 -49.18 74.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.459 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.49 98.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.941 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -87.21 -65.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.738 0.304 . . . . 0.0 111.608 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 715' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' B' ' 617' ' ' ARG . 11.0 m120 -78.06 -51.54 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.067 -167.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 716' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 14.2 tmtt? . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.472 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.264 0.554 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -95.57 -170.0 2.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.539 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -83.06 -32.81 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.467 0.651 . . . . 0.0 109.42 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -128.73 135.04 48.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.779 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -105.29 123.95 48.72 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 60.7 mt -83.41 82.38 8.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.228 0.537 . . . . 0.0 111.338 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -104.57 114.19 28.25 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.365 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.07 -46.49 4.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.892 0.377 . . . . 0.0 110.744 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 67.2 tp -84.25 134.76 34.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.571 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.97 151.61 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.4 p -72.96 157.95 36.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.081 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.76 -24.37 65.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.878 0.371 . . . . 0.0 110.421 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.72 -55.04 39.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.321 0.581 . . . . 0.0 110.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.17 -44.48 83.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.976 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.65 HG12 ' HD1' ' B' ' 674' ' ' TYR . 67.4 mt -60.29 -51.7 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.497 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 48.2 ttm -65.08 -37.09 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.831 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.5 -42.39 92.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.541 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 3.1 t70 -59.34 -51.32 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.508 HD21 ' HD2' ' B' ' 677' ' ' LYS . 11.1 mp -56.87 -45.16 82.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.687 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 217' ' ' MET . 63.7 mtp180 -56.6 -46.39 80.9 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.928 0.394 . . . . 0.0 110.231 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -45.31 81.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.256 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.594 HD22 HD12 ' B' ' 695' ' ' ILE . 96.7 mt -56.38 -47.53 78.75 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 111.912 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -84.43 -0.9 54.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.723 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.933 ' HE3' ' HA ' ' A' ' 225' ' ' LYS . 0.0 OUTLIER -110.77 -67.79 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.361 179.048 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.755 HD21 HG12 ' B' ' 691' ' ' ILE . 44.8 tp 49.13 82.39 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.354 0.597 . . . . 0.0 110.759 -170.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -103.87 7.72 36.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.189 0.519 . . . . 0.0 111.114 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.257 -178.767 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.873 0.368 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.16 -82.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -104.37 -56.48 2.18 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -153.66 -56.49 0.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.718 171.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -137.66 160.96 37.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.112 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 41.3 mm -74.19 113.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.011 0.434 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -96.96 96.33 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -84.11 157.54 21.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.342 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.43 123.24 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.99 0.424 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.95 -103.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.577 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -117.67 8.58 12.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.798 0.808 . . . . 0.0 109.057 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.82 -47.29 78.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.344 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.11 -42.39 98.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.588 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -56.72 -46.01 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.407 ' O ' HG11 ' B' ' 623' ' ' VAL . 13.0 tp10 -60.47 -46.91 88.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.579 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.486 ' HA ' HG11 ' B' ' 623' ' ' VAL . 4.4 mm? -71.92 -46.02 59.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 111.307 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.46 -46.14 80.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.853 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.2 t -71.0 -47.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.711 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.486 HG11 ' HA ' ' B' ' 620' ' ' LEU . 12.8 p -66.11 -35.14 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' B' ' 624' ' ' LEU . 2.9 mm? -69.88 -42.84 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.597 0.237 . . . . 0.0 110.66 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.66 -44.57 96.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.134 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.479 HG23 ' HB2' ' B' ' 669' ' ' ALA . 64.2 m -60.74 -42.62 97.71 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.206 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.538 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.72 -56.15 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.401 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.28 -40.94 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.511 0.507 . . . . 0.0 112.038 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.254 0.549 . . . . 0.0 110.646 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.491 ' HA ' HG12 ' B' ' 633' ' ' VAL . 30.9 m -73.31 -33.82 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 627' ' ' ASN . 40.8 mm -58.68 -49.87 81.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 109.915 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -57.36 -55.28 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' B' ' 630' ' ' THR . 8.8 p -64.27 -40.58 89.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.467 ' CB ' HD12 ' B' ' 697' ' ' LEU . 40.0 mt -69.48 -44.04 71.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.24 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.421 ' CD ' HD22 ' B' ' 697' ' ' LEU . 7.9 mm-40 -61.93 -34.37 75.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.789 0.328 . . . . 0.0 110.772 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.97 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 36.5 mm -64.29 -45.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . 0.548 ' HA ' HD12 ' B' ' 641' ' ' LEU . 0.9 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.658 -178.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . 0.499 ' HZ1' ' HB3' ' B' ' 639' ' ' LYS . 0.0 OUTLIER -69.92 -39.6 76.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.918 177.705 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.77 -28.84 67.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' B' ' 638' ' ' GLN . 96.6 mt -68.03 -60.06 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 42.3 p 48.2 36.55 6.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.108 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 66.41 91.23 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.78 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.9 mt -96.44 160.76 14.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.138 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.0 m -73.77 172.16 12.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.74 80.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.1 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.596 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 47.0 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.61 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.521 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 50.5 mt-30 -74.65 -22.72 58.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.188 0.518 . . . . 0.0 109.993 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.15 -43.31 29.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.934 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.26 -62.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.584 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.84 95.77 8.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 40.9 ttm180 -133.58 154.78 50.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.768 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.31 82.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.121 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -90.96 -51.36 5.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.814 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -116.53 -1.43 12.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.542 0.686 . . . . 0.0 109.255 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 0.7 OUTLIER -79.63 137.72 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.539 -176.281 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' B' ' 657' ' ' THR . 9.7 mp 69.66 15.61 8.09 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.788 0.68 . . . . 0.0 110.709 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.962 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -131.19 -143.75 5.31 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.89 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 77.33 -74.58 1.88 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.439 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 40.0 p -134.65 -43.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 111.103 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.7 p -89.21 17.03 6.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.754 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.962 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 10.9 pt-20 -65.96 -39.12 90.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.904 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.08 -33.38 42.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.423 HG21 HG22 ' B' ' 626' ' ' THR . 54.6 mt -61.88 -50.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.249 0.547 . . . . 0.0 110.755 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -79.21 -34.61 42.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.663 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 44.0 ttt180 -62.46 -49.63 74.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.213 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.39 -45.57 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.912 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.479 ' HB2' HG23 ' B' ' 626' ' ' THR . . . -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.6 HD12 HD13 ' B' ' 673' ' ' ILE . 11.5 tp -75.47 -35.36 60.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.36 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 51.7 mt-30 -68.98 -23.54 64.13 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -73.0 -35.21 66.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.116 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.6 HD13 HD12 ' B' ' 670' ' ' LEU . 25.2 pt -92.97 -36.21 7.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.671 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.65 ' HD1' HG12 ' A' ' 216' ' ' ILE . 27.5 m-85 -116.53 40.07 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.982 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.12 -54.93 0.5 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.46 -34.35 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.508 ' HD2' HD21 ' A' ' 220' ' ' LEU . 71.7 mmtt -116.46 29.07 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.54 -172.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.94 90.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.19 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.66 -38.38 90.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 677' ' ' LYS . 30.8 mm -75.79 -41.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.354 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' B' ' 686' ' ' ARG . 31.1 mm -59.08 -46.18 92.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.52 -41.62 85.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.692 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.16 96.56 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.106 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.652 HD23 HG23 ' B' ' 696' ' ' VAL . 88.8 mt -67.31 -32.32 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.111 0.481 . . . . 0.0 110.881 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.455 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 13.6 mmm180 -87.81 11.41 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.98 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.452 ' HB3' ' HE2' ' B' ' 687' ' ' LYS . 33.6 ttpt -137.76 -62.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.933 0.396 . . . . 0.0 111.196 -172.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -123.16 84.21 51.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.226 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.521 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 44.4 Cg_endo -67.0 -41.2 10.32 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.32 2.013 . . . . 0.0 112.752 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 70.7 m -75.57 -5.26 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.157 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.755 HG12 HD21 ' A' ' 226' ' ' LEU . 42.5 mt -101.45 -60.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.342 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.582 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -72.52 -50.42 25.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.519 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 73.6 t -52.35 -51.94 67.7 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 58.8 Cg_exo -53.71 -42.94 62.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.762 1.641 . . . . 0.0 112.52 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.6 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 36.7 mt -70.97 -55.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.652 HG23 HD23 ' B' ' 685' ' ' LEU . 31.4 m -58.74 -37.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.6 ' O ' ' HG2' ' B' ' 701' ' ' LYS . 49.7 tp -64.87 -43.82 91.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.635 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -63.14 -38.74 92.39 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.603 0.239 . . . . 0.0 111.006 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.6 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 29.2 mmt180 -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.648 0.737 . . . . 0.0 109.143 174.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.08 -33.27 71.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.614 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 2.8 mmmp? -73.04 -41.17 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.136 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 702' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' B' ' 699' ' ' ARG . 25.1 ptt? -66.33 -37.0 84.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -71.02 -33.96 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.621 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.48 -51.44 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.663 175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.3 tt0 -63.79 -38.06 89.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.95 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.17 -43.03 93.04 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.833 0.349 . . . . 0.0 110.755 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -63.82 -38.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.597 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 0.3 OUTLIER -60.69 -41.05 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 176.533 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.6 mm-40 -58.83 -44.49 90.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.984 0.421 . . . . 0.0 110.431 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.77 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.475 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 31.0 tt0 -64.3 -32.98 74.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.326 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 33.0 mmt180 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.411 . . . . 0.0 110.094 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -69.89 -47.79 45.14 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.048 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.54 -65.0 1.06 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.475 ' HB2' ' HG2' ' B' ' 711' ' ' GLN . 4.4 m120 -67.76 -47.17 69.95 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.6 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 8.2 tmtt? -65.16 -48.5 73.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.631 -174.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 90.6 t -65.28 -36.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.891 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -59.49 -44.75 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.418 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 4.6 tpm_? -53.95 -51.07 65.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.144 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 48.0 mm-40 -58.32 -54.37 47.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.046 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.741 -174.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.95 -41.33 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.462 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 31.5 mm-40 -80.15 -24.4 40.44 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -85.91 -177.88 6.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.157 0.503 . . . . 0.0 111.507 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -77.78 111.05 13.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.013 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . 0.43 ' O ' ' HB2' ' B' ' 727' ' ' LEU . 76.4 t80 -85.51 -13.99 47.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.13 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' B' ' 726' ' ' TYR . 91.2 mt 73.03 -179.16 0.21 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.746 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -105.1 6.19 33.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.57 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.655 178.267 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.871 0.367 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -93.26 130.97 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.19 95.73 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . 0.667 ' H ' ' HZ ' ' B' ' 714' ' ' PHE . . . -59.65 141.24 55.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.383 176.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.62 79.82 7.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.734 0.778 . . . . 0.0 110.152 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.6 mt -84.05 103.74 13.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.577 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -84.9 -16.83 39.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.615 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 79.2 m-85 69.39 11.89 8.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.463 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 74.7 mt -110.2 174.94 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.608 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 18.2 tp -113.21 151.31 31.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.7 p -66.06 133.28 50.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.962 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.462 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.31 -48.86 80.04 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.38 -41.96 88.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 84.5 mt -55.48 -52.03 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.29 0.566 . . . . 0.0 110.517 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.28 -30.93 71.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.611 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . 0.542 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 34.6 tt0 -65.66 -41.27 92.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.128 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.511 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 82.0 m-20 -64.28 -46.13 85.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.51 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 223' ' ' LEU . 6.2 mp -55.12 -48.69 73.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 110.886 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.542 ' HE ' ' HA ' ' A' ' 218' ' ' GLU . 63.4 mtm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.3 m -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.389 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 87.7 mt -60.05 -23.07 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . 0.509 ' N ' HD21 ' A' ' 224' ' ' ASN . 0.8 OUTLIER -100.76 4.1 42.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.173 -177.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 221' ' ' ARG . 31.3 mmmt -85.47 -50.52 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.843 0.354 . . . . 0.0 111.313 -178.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.89 81.01 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.88 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -141.19 133.84 28.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.168 0.508 . . . . 0.0 110.799 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.811 177.69 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -118.16 98.78 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 175.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.4 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.292 0.568 . . . . 0.0 109.75 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -135.97 154.78 50.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.958 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 68.61 91.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.658 0.599 . . . . 0.0 110.544 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . 0.431 ' N ' HD13 ' B' ' 610' ' ' ILE . 3.1 mp -100.58 116.55 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -113.93 129.79 56.57 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -85.78 88.63 7.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -171.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 64.5 m 62.51 95.15 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 166.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.27 -45.06 3.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.652 170.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.0 -14.01 62.5 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.432 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 7.1 tp10 -70.48 -48.89 53.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.943 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -42.92 83.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.273 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG21 ' B' ' 622' ' ' VAL . 86.5 t80 -57.86 -43.82 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.376 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.68 -30.7 69.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.652 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 65.3 mt -60.62 -48.82 80.08 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.688 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.88 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.045 0.45 . . . . 0.0 110.343 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . 0.403 HG21 ' O ' ' B' ' 618' ' ' PHE . 69.0 t -62.87 -51.18 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.771 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.446 HG12 HD23 ' B' ' 624' ' ' LEU . 14.1 p -64.02 -39.58 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.49 HD11 ' NE ' ' B' ' 708' ' ' ARG . 2.2 mm? -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.683 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.05 -41.66 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.261 0.553 . . . . 0.0 110.464 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.672 HG21 ' HB ' ' B' ' 665' ' ' ILE . 77.2 m -67.17 -46.08 75.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.194 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.502 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.0 t30 -66.52 -45.48 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.584 ' HB2' HH21 ' B' ' 708' ' ' ARG . 2.8 tm? -60.26 -40.44 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.35 84.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.336 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.505 HG21 HD23 ' B' ' 634' ' ' LEU . 18.9 m -68.97 -38.51 79.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.47 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.518 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 46.1 mm -53.52 -53.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.351 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -64.51 -39.05 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.172 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.569 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.4 p -72.2 -35.39 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.554 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.778 ' HB3' HD12 ' B' ' 697' ' ' LEU . 2.7 mm? -65.3 -43.46 91.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.449 0.166 . . . . 0.0 110.753 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 631' ' ' ILE . 45.5 mt-10 -58.78 -38.41 78.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.188 0.518 . . . . 0.0 110.147 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.66 -41.07 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.576 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.569 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.3 mm -64.67 -46.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.123 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.29 -39.89 73.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.633 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -67.23 -46.57 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.368 176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -67.27 -30.66 70.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.19 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.652 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 92.9 mt -68.43 -43.14 77.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.768 176.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 56.25 19.71 4.09 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.697 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 48.59 54.59 10.32 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.402 0.62 . . . . 0.0 111.761 -172.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' B' ' 641' ' ' LEU . 51.1 mt -65.15 175.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.051 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 10.6 t -77.79 172.17 13.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.56 79.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -65.44 -31.02 71.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.371 0.605 . . . . 0.0 109.737 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 43.5 mt-10 -78.53 -31.9 47.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.851 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.528 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 79.7 mm-40 -67.85 -30.71 70.15 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.241 0.544 . . . . 0.0 110.175 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.23 -33.52 61.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.3 -59.42 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -90.85 90.83 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.632 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.8 ttp180 -111.55 149.38 31.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.474 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.755 HD21 HD23 ' B' ' 658' ' ' LEU . 5.5 mp -75.75 60.29 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.263 0.554 . . . . 0.0 109.986 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.32 -59.39 2.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.959 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -131.73 23.84 4.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.112 0.958 . . . . 0.0 108.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 -14.4 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.9 -172.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.755 HD23 HD21 ' B' ' 654' ' ' LEU . 85.0 mt -83.32 -0.22 48.74 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.436 ' HA3' ' HB2' ' B' ' 662' ' ' SER . . . 124.43 -23.3 6.42 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.353 173.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 66.23 -94.62 0.22 Allowed Glycine 0 C--O 1.229 -0.175 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.309 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 55.1 m -67.94 -35.77 78.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.193 0.52 . . . . 0.0 109.63 172.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 662' ' ' SER . . . . . 0.436 ' HB2' ' HA3' ' B' ' 659' ' ' GLY . 36.7 m -77.01 -6.41 52.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.992 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.505 ' HG2' ' HB2' ' B' ' 667' ' ' ARG . 42.6 tt0 -77.02 -23.34 52.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.714 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.07 -46.3 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' B' ' 626' ' ' THR . 18.9 pt -71.32 -41.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.631 0.253 . . . . 0.0 111.461 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . 0.406 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.6 m170 -68.96 -47.12 66.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.766 0.793 . . . . 0.0 109.801 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.505 ' HB2' ' HG2' ' B' ' 663' ' ' GLU . 21.1 ttt180 -65.64 -36.44 83.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.531 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.56 -47.1 67.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 110.675 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.507 HD12 HG22 ' B' ' 696' ' ' VAL . 18.6 tp -66.97 -37.06 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.419 ' HG2' ' HB3' ' B' ' 678' ' ' ALA . 40.9 mt-30 -72.22 -24.17 61.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.83 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 31.5 ttt180 -68.09 -46.52 70.75 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.334 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.716 HG22 ' HG2' ' B' ' 703' ' ' LYS . 27.3 pt -75.77 -38.6 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.221 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.484 ' CD1' HG13 ' B' ' 681' ' ' ILE . 63.0 m-85 -92.73 27.89 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.812 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.94 2.03 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.593 0.961 . . . . 0.0 113.593 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.37 -38.71 65.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.65 ' HZ3' ' HB2' ' B' ' 677' ' ' LYS . 0.1 OUTLIER -151.59 45.99 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.967 -170.07 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . 0.419 ' HB3' ' HG2' ' B' ' 671' ' ' GLN . . . -71.91 -26.45 62.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.237 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.07 66.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.794 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.69 -34.67 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.127 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.484 HG13 ' CD1' ' B' ' 674' ' ' TYR . 23.0 mm -70.38 -45.88 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.501 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.409 HD13 HD22 ' B' ' 670' ' ' LEU . 46.6 mm -58.54 -40.4 78.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.49 -36.51 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.751 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.23 -37.39 91.75 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.384 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.519 HD21 HG13 ' B' ' 696' ' ' VAL . 92.3 mt -57.51 -30.71 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.632 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 10.9 mpt_? -86.69 -12.94 46.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.676 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.83 -44.69 5.7 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.836 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -148.49 94.14 4.22 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 110.269 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.562 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 42.7 Cg_endo -69.2 -21.0 36.71 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.859 2.373 . . . . 0.0 112.514 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 16.2 t -69.56 -27.12 64.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.262 0.553 . . . . 0.0 110.026 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.467 HG22 ' HA ' ' A' ' 223' ' ' LEU . 57.2 mt -93.53 -63.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.936 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.04 89.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 83.4 t -56.2 -57.19 24.09 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.4 Cg_exo -56.02 -43.43 56.79 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.949 1.766 . . . . 0.0 112.542 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.09 -55.41 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.177 0.513 . . . . 0.0 110.686 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.519 HG13 HD21 ' B' ' 685' ' ' LEU . 1.5 p -65.93 -34.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.704 -173.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.778 HD12 ' HB3' ' B' ' 634' ' ' LEU . 39.9 tp -69.12 -36.46 77.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.507 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -72.03 -38.56 69.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -62.77 -42.08 99.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.355 0.598 . . . . 0.0 109.577 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.518 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 23.1 tp -67.25 -35.23 79.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.84 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -47.57 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.948 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 45.2 ttp -59.01 -43.72 91.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.705 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.716 ' HG2' HG22 ' B' ' 673' ' ' ILE . 39.7 tptt -69.96 -37.09 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.427 -178.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -55.85 -51.58 67.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.882 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 45.1 mt-10 -59.77 -43.11 94.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.95 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . 0.493 ' CD ' ' HZ3' ' B' ' 703' ' ' LYS . 28.8 tt0 -57.88 -52.25 66.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.974 0.416 . . . . 0.0 110.314 177.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.615 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 1.9 m0 -63.18 -34.72 78.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.367 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.584 HH21 ' HB2' ' B' ' 628' ' ' LEU . 30.6 mmt180 -68.56 -33.11 73.51 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.132 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 45.2 mt-10 -81.28 -30.0 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.681 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.24 69.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.581 ' HG3' ' HB3' ' B' ' 715' ' ' ASN . 58.1 tt0 -62.14 -39.24 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.62 174.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.588 ' O ' HG23 ' B' ' 717' ' ' VAL . 77.2 ttt180 -50.82 -50.7 55.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.677 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -72.6 -45.44 36.09 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.421 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . 0.667 ' HZ ' ' H ' ' A' ' 205' ' ' ALA . 93.4 m-85 -89.86 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.581 ' HB3' ' HG3' ' B' ' 711' ' ' GLN . 24.8 t-20 -75.79 -49.4 18.19 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -168.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 8.5 tmtt? -63.6 -48.71 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 712' ' ' ARG . 31.8 t -63.18 -39.28 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.404 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . 0.428 ' HB2' ' O ' ' B' ' 714' ' ' PHE . 11.7 t90 -60.06 -40.3 88.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.061 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 11.0 tpt180 -61.89 -44.55 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 175.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 21.2 mm-40 -53.89 -42.72 68.96 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.168 0.509 . . . . 0.0 110.255 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 6.7 mm-40 -69.41 -36.29 76.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.861 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.81 -17.68 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.573 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 25.1 mm-40 -80.22 -8.15 59.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . 0.658 ' HZ3' ' HB2' ' B' ' 724' ' ' LYS . 9.6 mtmp? -101.19 167.62 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 41.66 86.04 0.02 OUTLIER 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.855 1.347 . . . . 0.0 113.469 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.79 130.59 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.44 117.35 28.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.225 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.95 -18.64 61.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 110.369 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.251 1.141 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 173.344 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 69.63 112.46 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.795 0.684 . . . . 0.0 111.685 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.52 -14.89 59.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -105.67 -176.86 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.315 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 63.84 91.03 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.718 0.636 . . . . 0.0 110.357 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.454 HD22 ' HB1' ' B' ' 710' ' ' ALA . 76.3 mt -108.97 148.79 30.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.841 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.99 91.15 3.55 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -66.4 -26.6 67.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.626 -177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.427 HD12 ' O ' ' B' ' 672' ' ' ARG . 4.6 mm? -88.0 168.63 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.904 175.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.689 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 30.5 tp -108.35 146.88 32.33 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 22.4 m -64.8 131.68 47.46 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.848 0.356 . . . . 0.0 110.782 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.65 -43.46 84.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.845 -172.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -68.18 -39.48 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.062 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.479 HG12 HD21 ' A' ' 211' ' ' LEU . 74.2 mt -61.99 -47.79 91.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.369 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 53.2 mtt -59.9 -38.71 83.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.282 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.63 -46.66 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.248 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.538 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 81.9 m-20 -62.16 -50.11 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.474 HD23 ' HD2' ' B' ' 677' ' ' LYS . 10.7 mp -55.62 -50.5 70.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.066 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 225' ' ' LYS . 30.7 mtm180 -63.31 -29.71 70.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 61.8 m -71.48 -46.38 59.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.316 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.6 mt -55.97 -49.48 73.46 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -67.52 -18.82 65.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.887 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 221' ' ' ARG . 36.0 mtmm -95.26 -7.18 39.62 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.288 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.77 ' HB3' HD13 ' B' ' 691' ' ' ILE . 87.2 mt -106.92 91.12 3.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.9 0.381 . . . . 0.0 111.352 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 62.3 173.94 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.39 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.437 178.858 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 44.8 t30 72.83 126.56 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.463 0.649 . . . . 0.0 111.272 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.32 -8.44 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.581 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.1 -19.1 65.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 41.3 m80 64.32 43.12 4.89 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.447 0.467 . . . . 0.0 110.406 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 13.1 pt -89.11 97.28 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.603 0.716 . . . . 0.0 111.459 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -112.42 83.91 1.88 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.292 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -126.05 98.38 5.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.927 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' B' ' 616' ' ' GLU . 82.2 m -115.98 120.93 40.75 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.865 0.364 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.69 -15.7 57.06 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -76.72 -4.29 42.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' B' ' 613' ' ' CYS . 4.3 tp10 -65.77 -45.72 81.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.276 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -75.72 -34.43 60.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.734 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . 0.423 ' O ' HG22 ' B' ' 622' ' ' VAL . 75.3 t80 -63.83 -47.25 81.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.77 -31.07 71.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.043 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.487 ' HA ' HG11 ' B' ' 623' ' ' VAL . 29.9 tp -66.69 -43.93 83.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 109.961 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.19 -42.88 99.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.935 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 618' ' ' PHE . 74.8 t -63.92 -50.97 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.274 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.487 HG11 ' HA ' ' B' ' 620' ' ' LEU . 14.9 p -64.71 -34.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 C-N-CA 121.321 -0.152 . . . . 0.0 111.111 -176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.6 mm? -67.23 -40.12 86.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.517 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.91 -44.95 72.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.78 0.324 . . . . 0.0 110.449 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.505 HG22 ' HB1' ' B' ' 669' ' ' ALA . 89.8 m -58.15 -44.77 88.05 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.326 0.584 . . . . 0.0 110.096 175.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.414 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.8 t-20 -63.18 -54.48 36.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.922 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 2.4 mm? -53.47 -45.3 69.53 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.338 0.399 . . . . 0.0 111.365 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.48 82.72 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.737 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.461 HG23 HD22 ' B' ' 634' ' ' LEU . 58.4 m -70.8 -40.51 72.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.161 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.515 HD12 ' HG ' ' B' ' 700' ' ' LEU . 32.5 mm -51.77 -51.15 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 172.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 2.1 mmp_? -57.16 -50.7 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.585 -178.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.464 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.0 p -68.5 -36.16 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.063 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.89 ' HB3' HD12 ' B' ' 697' ' ' LEU . 2.1 mm? -60.23 -51.81 67.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 177.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.46 -36.26 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' B' ' 640' ' ' LYS . . . -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.742 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 32.8 mm -69.62 -40.72 79.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.861 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . 0.455 ' C ' HE21 ' B' ' 638' ' ' GLN . 0.0 OUTLIER -61.55 -34.95 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.671 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -65.92 -44.12 86.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.052 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' B' ' 636' ' ' ALA . 14.4 mmmm -62.76 -38.1 89.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.454 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.1 mt -66.68 -68.75 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.282 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.2 m 55.4 34.0 22.05 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 61.64 80.83 0.21 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.051 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.4 157.47 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.522 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 69.4 p -76.85 175.74 9.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.76 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.21 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.462 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.15 -29.8 57.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.49 -24.5 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.83 -26.34 44.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.15 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.248 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -106.35 105.59 15.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.734 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 33.9 ttm180 -134.95 159.72 40.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.619 ' HA ' ' OG1' ' B' ' 657' ' ' THR . 8.7 mp -76.18 27.74 0.12 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -172.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -83.22 -22.86 33.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 110.278 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -120.85 8.13 10.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.655 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' THR . . . . . 0.619 ' OG1' ' HA ' ' B' ' 654' ' ' LEU . 0.1 OUTLIER -109.17 -167.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.628 -175.185 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' B' ' 657' ' ' THR . 92.9 mt 75.83 -41.67 0.44 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.105 0.962 . . . . 0.0 111.199 -177.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . 101.44 131.44 7.39 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.935 173.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -92.28 9.69 75.73 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 9.8 t -99.43 -9.32 23.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.403 0.62 . . . . 0.0 109.925 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 14.6 p -154.08 28.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.603 ' O ' ' HD3' ' B' ' 667' ' ' ARG . 0.5 OUTLIER -64.7 -40.4 95.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.653 -177.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . 0.407 ' N ' ' HG2' ' B' ' 663' ' ' GLU . 4.2 p -56.69 -37.84 54.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.715 178.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.61 -43.22 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.718 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -73.6 -38.11 65.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.133 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.603 ' HD3' ' O ' ' B' ' 663' ' ' GLU . 9.6 mpt_? -61.32 -46.29 90.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.244 174.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -64.22 -39.04 93.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.24 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.505 ' HB1' HG22 ' B' ' 626' ' ' THR . . . -62.79 -42.38 99.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.25 -41.9 76.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.92 -23.39 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.573 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' B' ' 672' ' ' ARG . 4.8 tpm_? -56.47 -47.26 79.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.701 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 211' ' ' LEU . 11.6 pt -104.96 -41.91 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.999 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.82 32.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.325 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.27 -59.46 0.3 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -94.18 -1.09 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.474 ' HD2' HD23 ' A' ' 220' ' ' LEU . 45.7 mmtm -129.88 21.26 5.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.3 93.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.29 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.52 -40.95 80.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.04 -48.03 76.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.442 ' HA ' HD12 ' B' ' 685' ' ' LEU . 93.3 mt -63.65 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.71 -42.19 88.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.972 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -66.5 -40.16 94.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.489 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.585 HD23 HG21 ' B' ' 696' ' ' VAL . 95.9 mt -59.27 -40.66 86.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.419 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 79.4 mtp180 -89.28 17.52 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.133 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -126.12 -56.24 1.45 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.886 0.374 . . . . 0.0 110.197 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . 0.4 ' HB3' ' CG1' ' B' ' 691' ' ' ILE . 84.5 m-20 -132.19 92.96 27.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.094 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.35 -31.13 22.98 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.568 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 77.5 p -71.68 -16.37 62.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.248 0.547 . . . . 0.0 110.178 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.77 HD13 ' HB3' ' A' ' 226' ' ' LEU . 37.4 mm -98.68 -63.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.113 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.499 ' O ' HG23 ' B' ' 696' ' ' VAL . . . -70.52 -49.11 51.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.555 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.539 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 88.6 t -54.45 -51.21 80.17 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.545 ' O ' ' HG3' ' B' ' 698' ' ' LYS . 52.1 Cg_exo -54.53 -45.67 39.18 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.654 1.57 . . . . 0.0 112.027 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 75.8 mt -64.33 -52.19 58.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.585 HG21 HD23 ' B' ' 685' ' ' LEU . 29.5 m -65.03 -38.82 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.388 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.89 HD12 ' HB3' ' B' ' 634' ' ' LEU . 46.1 tp -61.67 -40.61 95.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 54.1 mtpt -68.65 -42.51 77.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.816 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.419 ' HE ' ' CG ' ' A' ' 219' ' ' ASP . 21.7 mmt180 -58.98 -47.52 84.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.392 0.615 . . . . 0.0 110.022 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.515 ' HG ' HD12 ' B' ' 631' ' ' ILE . 34.0 tp -66.12 -31.26 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.82 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.505 ' HD2' HD11 ' B' ' 631' ' ' ILE . 9.3 tptp -76.09 -40.36 53.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.173 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 702' ' ' MET . . . . . 0.53 ' O ' ' HB2' ' B' ' 705' ' ' GLU . 0.0 OUTLIER -73.2 -31.71 64.36 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.351 0.596 . . . . 0.0 109.837 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' B' ' 673' ' ' ILE . 12.1 tptp -69.56 -33.83 73.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 34.7 tt0 -61.13 -42.06 97.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.53 ' HB2' ' O ' ' B' ' 702' ' ' MET . 52.6 mt-10 -51.26 -50.15 59.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.453 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -57.63 -49.59 75.93 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -64.54 -30.41 71.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.546 -179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 26.3 mmt180 -69.18 -33.78 73.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 17.2 mm-40 -64.49 -43.62 93.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.142 0.496 . . . . 0.0 109.732 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . 0.454 ' HB1' HD22 ' A' ' 207' ' ' LEU . . . -67.12 -48.23 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.859 176.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.47 -39.91 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.026 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.587 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 22.2 tpt180 -61.38 -53.69 53.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.578 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.44 93.68 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.298 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.62 -66.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.945 0.372 . . . . 0.0 111.949 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.93 -55.24 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 111.74 -169.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.587 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 23.1 tptp -59.97 -47.55 85.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.871 -174.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 17.3 t -66.38 -44.99 90.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.589 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.08 -43.07 81.81 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.252 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -62.25 -48.48 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.667 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 59.8 mt-10 -69.46 -18.74 63.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.716 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.1 -62.11 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.922 0.391 . . . . 0.0 111.431 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -70.8 -41.09 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.873 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -81.05 -2.52 48.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.405 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -90.03 103.48 16.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.423 . . . . 0.0 110.073 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -105.07 158.64 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.674 -175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -124.01 111.14 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 94.7 mt -126.93 77.18 1.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -148.73 138.34 21.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.624 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.111 177.094 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -142.04 126.64 17.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.451 0.643 . . . . 0.0 111.233 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . 0.594 ' HA ' ' HZ ' ' B' ' 714' ' ' PHE . . . -151.72 158.68 43.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.692 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -101.99 -31.22 10.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.074 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 64.96 83.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.665 0.745 . . . . 0.0 110.209 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.441 HD11 ' CB ' ' B' ' 710' ' ' ALA . 1.7 pt? -123.53 155.8 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -120.4 114.77 22.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.415 0.626 . . . . 0.0 111.239 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.488 ' HE2' HG13 ' B' ' 623' ' ' VAL . 96.5 m-85 -72.38 -39.98 67.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 63.3 tp -90.4 150.31 21.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.427 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 62.9 mt -96.62 158.65 15.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 11.1 p -73.92 162.66 28.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.889 -0.142 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.34 -48.89 36.02 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.591 0.557 . . . . 0.0 110.784 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.531 ' O ' ' HB2' ' A' ' 218' ' ' GLU . 37.4 tt0 -52.71 -40.37 62.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.38 -41.41 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.539 HG13 ' HD1' ' B' ' 674' ' ' TYR . 1.8 mp -60.15 -50.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.985 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.549 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 1.1 mpt? -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 214' ' ' GLU . 2.4 tp10 -60.77 -37.45 81.9 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.211 0.529 . . . . 0.0 110.426 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 223' ' ' LEU . 11.2 mp -60.28 -38.88 84.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.045 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 217' ' ' MET . 32.5 mmt180 -55.54 -49.26 73.12 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.281 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 35.7 m -61.88 -37.8 85.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.008 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.445 HD21 HG22 ' B' ' 691' ' ' ILE . 77.1 mt -60.17 -31.89 70.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.323 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 224' ' ' ASN . 0.9 OUTLIER -91.19 -22.13 20.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.354 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -96.61 -2.81 44.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.647 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.556 HD11 HG12 ' B' ' 691' ' ' ILE . 0.4 OUTLIER -81.61 115.14 20.75 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.169 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.566 ' HZ3' ' HB2' ' A' ' 227' ' ' LYS . 9.7 mtmp? -99.44 156.77 16.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.071 0.463 . . . . 0.0 111.394 -173.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.532 175.856 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.984 0.421 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -147.8 175.66 10.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.932 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -78.24 137.25 38.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.478 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 70.52 154.99 0.14 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.889 0.743 . . . . 0.0 110.14 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -72.01 107.39 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.52 0.676 . . . . 0.0 111.015 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 61.8 mt -100.94 130.58 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.41 130.32 34.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.279 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -91.31 120.26 32.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 85.1 m -96.18 -20.58 18.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.31 0.576 . . . . 0.0 109.666 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.448 ' CD ' ' H ' ' B' ' 614' ' ' GLU . 1.4 mp0 -69.51 -36.25 76.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.747 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -101.51 21.47 14.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.096 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.402 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 5.9 tp10 -62.25 -34.08 75.83 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.706 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -56.17 -51.88 66.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.766 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.89 -42.37 98.99 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.436 ' O ' HG12 ' B' ' 623' ' ' VAL . 11.2 tp10 -62.48 -35.01 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.239 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.414 ' HA ' HG12 ' B' ' 623' ' ' VAL . 42.8 mt -66.01 -43.65 87.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.752 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.03 -51.38 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.717 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.488 HG13 ' HE2' ' A' ' 209' ' ' TYR . 14.4 p -64.61 -35.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.364 -0.135 . . . . 0.0 111.208 -176.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -67.32 -41.77 84.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.691 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.59 -43.87 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.023 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.478 HG22 ' HB ' ' B' ' 665' ' ' ILE . 86.0 m -58.39 -42.17 86.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.526 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.505 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -58.39 -59.95 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.018 175.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.66 -35.75 63.87 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.656 0.598 . . . . 0.0 111.973 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.627 ' HA ' HH21 ' B' ' 632' ' ' ARG . . . -58.75 -58.67 7.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.419 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' B' ' 634' ' ' LEU . 13.3 m -65.86 -29.89 70.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.982 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' B' ' 700' ' ' LEU . 23.8 mm -55.08 -55.68 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.061 0.458 . . . . 0.0 110.478 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.627 HH21 ' HA ' ' B' ' 629' ' ' ALA . 68.5 mtm180 -63.49 -37.24 86.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.167 -176.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.624 HG21 ' O ' ' B' ' 629' ' ' ALA . 16.3 t -63.98 -50.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 0.0 110.203 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.66 HD12 HG13 ' B' ' 693' ' ' VAL . 0.2 OUTLIER -62.2 -45.1 94.89 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.411 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.24 -38.65 92.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.713 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.44 83.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.679 HG23 HD23 ' B' ' 654' ' ' LEU . 45.2 mm -64.37 -46.32 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.59 -37.05 74.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.146 0.498 . . . . 0.0 110.647 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.98 -35.77 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.848 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.42 -25.48 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' B' ' 689' ' ' PRO . 64.3 mt -75.98 -70.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 23.3 t 53.67 42.3 31.88 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.999 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 71.14 96.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.316 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.507 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 66.7 mt -109.21 155.09 21.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.972 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 13.9 m -71.32 167.83 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.68 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.06 75.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 0.0 111.539 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.39 -31.48 72.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.194 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.507 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 31.7 mt-10 -79.76 -22.26 43.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.432 ' HG2' ' CB ' ' B' ' 690' ' ' SER . 66.5 mt-30 -70.02 -32.84 71.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 172.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -77.44 -27.17 52.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.232 171.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' B' ' 648' ' ' GLU . 36.1 ttmt -66.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.262 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -103.2 98.4 8.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.616 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.659 ' HG3' ' HD3' ' B' ' 689' ' ' PRO . 38.5 ttp-105 -125.66 161.07 28.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.418 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.679 HD23 HG23 ' B' ' 637' ' ' ILE . 64.5 mt -74.32 82.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.352 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.48 -62.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -144.78 9.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.071 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.9 m -66.85 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.215 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.587 HD12 HD22 ' B' ' 654' ' ' LEU . 1.5 mp -86.52 -17.9 32.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -154.17 97.78 0.17 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.447 -1.358 . . . . 0.0 113.813 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -84.24 -77.11 1.16 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 170.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 12.1 p -123.23 13.3 9.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.217 0.532 . . . . 0.0 110.803 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 9.5 p -134.32 42.39 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.563 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.598 ' OE2' ' HB2' ' B' ' 667' ' ' ARG . 3.5 tm-20 -85.19 -35.25 21.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -173.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.9 p -49.19 -45.07 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.478 ' HB ' HG22 ' B' ' 626' ' ' THR . 17.2 pt -62.18 -30.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.877 0.37 . . . . 0.0 111.914 -177.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . 0.456 ' CE1' HG23 ' B' ' 633' ' ' VAL . 51.8 m-70 -79.1 -47.28 16.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.598 ' HB2' ' OE2' ' B' ' 663' ' ' GLU . 11.6 ttm180 -63.29 -38.84 92.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.894 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.78 -44.41 96.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.58 -43.93 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.682 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.91 -39.4 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 48.6 mt-30 -68.83 -23.63 64.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.366 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -83.45 -31.85 26.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.662 0.267 . . . . 0.0 110.968 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.5 pt -90.46 -34.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.586 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.539 ' HD1' HG13 ' A' ' 216' ' ' ILE . 30.8 m-85 -117.78 36.11 4.44 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.879 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . 0.488 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -34.0 -44.34 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.46 -31.74 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -139.71 36.39 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.515 0.674 . . . . 0.0 110.395 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . 0.521 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -65.3 -34.15 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.273 -177.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.42 -29.32 68.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.445 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.27 -43.27 70.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.125 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 33.6 mm -67.6 -33.33 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.114 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.521 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.4 mm -56.36 -47.03 81.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.34 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.68 -37.73 65.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.28 91.78 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.936 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.71 HD23 HG21 ' B' ' 696' ' ' VAL . 47.4 mt -59.16 -38.8 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 111.154 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -92.61 12.9 21.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.503 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.778 ' HB2' ' HZ1' ' B' ' 687' ' ' LYS . 0.3 OUTLIER -115.29 -46.62 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.583 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -145.98 97.67 4.49 Favored Pre-proline 0 N--CA 1.45 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.659 ' HD3' ' HG3' ' B' ' 653' ' ' ARG . 47.6 Cg_endo -68.29 -37.42 13.95 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.836 2.357 . . . . 0.0 112.948 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 690' ' ' SER . . . . . 0.432 ' CB ' ' HG2' ' B' ' 649' ' ' GLN . 15.6 t -72.19 -10.53 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.256 -0.278 . . . . 0.0 111.188 -174.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.556 HG12 HD11 ' A' ' 226' ' ' LEU . 36.8 mt -102.65 -57.75 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.984 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.61 ' O ' HG23 ' B' ' 696' ' ' VAL . . . -71.51 -45.17 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.66 HG13 HD12 ' B' ' 634' ' ' LEU . 52.9 t -54.32 -50.87 82.44 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.51 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 78.2 Cg_exo -52.01 -41.35 64.64 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.076 1.851 . . . . 0.0 112.58 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.571 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 23.7 mt -67.13 -56.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.147 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.71 HG21 HD23 ' B' ' 685' ' ' LEU . 3.2 m -63.5 -30.03 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.901 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' B' ' 634' ' ' LEU . 3.3 tm? -59.43 -50.04 75.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -63.42 -39.58 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.394 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 19.7 mmt180 -62.29 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.595 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' B' ' 631' ' ' ILE . 20.8 mt -63.95 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -72.95 -38.11 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.574 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.24 -47.25 81.84 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 109.701 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.48 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 21.4 mmtp -69.44 -30.62 68.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.535 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.681 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 31.9 tt0 -60.19 -50.99 71.5 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -52.36 30.38 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 175.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -60.98 -49.97 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.451 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.6 m0 -69.29 -20.63 63.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.938 -177.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 15.7 mmt180 -74.35 -36.18 63.61 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.2 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.03 -34.44 77.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.184 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . 0.441 ' CB ' HD11 ' A' ' 207' ' ' LEU . . . -71.88 -48.21 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -60.56 -54.61 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.723 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 21.6 mtm180 -73.27 -16.39 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.189 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.73 -57.45 2.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.287 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . 0.594 ' HZ ' ' HA ' ' A' ' 204' ' ' ALA . 90.9 m-85 -90.92 -64.64 1.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.42 -52.59 60.87 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -168.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.723 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 15.2 tppt? -59.76 -55.61 32.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 712' ' ' ARG . 42.9 t -57.0 -46.85 84.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.65 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.08 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 12.3 ttm180 -62.42 -46.95 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 47.3 mm-40 -60.65 -41.96 96.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.12 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.581 ' HB3' ' HG ' ' B' ' 727' ' ' LEU . 2.2 mp0 -70.19 -38.05 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.325 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -65.28 -38.84 91.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 48.8 mm-40 -62.87 -34.24 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -176.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -102.1 7.0 41.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.834 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 3.5 t80 52.43 39.39 27.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.034 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . 0.444 ' CZ ' ' HA ' ' B' ' 728' ' ' LYS . 49.4 t80 -145.9 103.95 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.12 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . 0.581 ' HG ' ' HB3' ' B' ' 721' ' ' GLN . 5.8 mp -94.52 18.11 11.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.807 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' B' ' 727' ' ' LEU . 25.4 tptp 73.1 122.43 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.914 0.759 . . . . 0.0 111.339 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.665 176.184 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.886 0.375 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -156.77 85.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -84.48 94.35 8.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.283 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -101.85 22.02 13.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.624 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -81.09 99.5 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.466 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.496 HD12 ' HB1' ' B' ' 710' ' ' ALA . 90.4 mt -97.65 147.93 23.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 209' ' ' TYR . 3.8 t-20 -101.25 -47.45 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.702 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 208' ' ' ASN . 79.9 m-85 70.13 161.53 0.22 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.93 0.769 . . . . 0.0 111.305 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 38.4 tp 65.24 167.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.426 176.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 87.7 mt -105.91 150.18 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 37.1 p -75.67 165.18 25.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.835 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.85 -37.46 71.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.373 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.7 -50.49 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.663 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -60.01 -48.59 81.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.826 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.17 -50.04 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.13 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.465 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 35.6 tpp -66.05 -30.44 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.261 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . 0.453 ' CD ' HH21 ' A' ' 221' ' ' ARG . 7.6 tp10 -59.92 -46.5 89.16 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.873 175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -43.11 94.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.39 -43.5 88.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.986 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 217' ' ' MET . 55.6 mtm180 -65.25 -40.74 94.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.977 0.418 . . . . 0.0 110.142 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' THR . . . . . 0.458 HG21 HD12 ' B' ' 695' ' ' ILE . 26.1 m -62.93 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.181 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.449 HD23 HG23 ' B' ' 691' ' ' ILE . 75.6 mt -55.43 -39.19 69.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.331 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.97 7.85 22.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.394 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -95.91 -25.47 15.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.056 0.455 . . . . 0.0 110.09 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.461 ' HB2' HG22 ' B' ' 691' ' ' ILE . 6.9 mp -100.6 -24.49 14.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -103.49 139.11 39.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.102 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 171.656 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . 0.617 ' HB3' ' HB ' ' B' ' 610' ' ' ILE . 13.0 m-80 -92.72 133.52 35.94 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.24 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.447 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' B' ' 609' ' ' HIS . 0.0 OUTLIER -92.93 -56.0 3.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.246 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.419 ' H ' ' CD ' ' B' ' 608' ' ' GLU . 69.4 m80 -113.45 -16.74 12.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . 0.617 ' HB ' ' HB3' ' B' ' 606' ' ' ASN . 2.7 mp -90.91 121.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.977 0.418 . . . . 0.0 110.679 -176.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.467 ' HE1' ' HH2' ' B' ' 718' ' ' TRP . 26.7 t80 -116.4 121.1 40.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' B' ' 613' ' ' CYS . 29.9 mmm180 -98.09 149.39 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.266 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . 0.661 ' HB3' ' HB2' ' B' ' 616' ' ' GLU . 96.5 m 71.53 150.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 110.561 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -95.27 -78.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.974 0.416 . . . . 0.0 110.438 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.416 ' HB3' ' HB3' ' B' ' 618' ' ' PHE . 20.1 m-20 -116.57 44.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.997 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.661 ' HB2' ' HB3' ' B' ' 613' ' ' CYS . 4.8 tp10 -63.48 -52.0 63.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.753 0.787 . . . . 0.0 109.57 -175.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.422 HH12 ' CD ' ' B' ' 723' ' ' GLU . 30.0 ttm180 -66.26 -44.13 84.51 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.623 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . 0.416 ' HB3' ' HB3' ' B' ' 615' ' ' ASP . 81.7 t80 -57.17 -47.79 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.65 ' O ' HG21 ' B' ' 623' ' ' VAL . 37.8 tt0 -58.42 -43.89 88.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.55 ' O ' HD21 ' B' ' 624' ' ' LEU . 1.9 mm? -58.81 -51.98 67.66 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 -175.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.25 -36.52 81.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.282 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.43 -44.75 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.791 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.65 HG21 ' O ' ' B' ' 619' ' ' GLU . 91.8 t -57.73 -48.56 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.681 0.277 . . . . 0.0 110.35 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.55 HD21 ' O ' ' B' ' 620' ' ' LEU . 4.2 mm? -62.54 -44.06 97.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.016 -175.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.9 -44.5 89.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.073 0.463 . . . . 0.0 110.304 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.433 HG22 ' HB2' ' B' ' 669' ' ' ALA . 42.4 m -61.45 -40.0 92.9 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.488 0.661 . . . . 0.0 110.187 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.512 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.07 -55.31 34.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.469 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -34.47 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.36 79.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.171 0.51 . . . . 0.0 110.377 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.447 ' HA ' HG11 ' B' ' 633' ' ' VAL . 20.1 m -69.67 -33.44 72.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.512 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.1 mm -59.07 -56.23 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -60.49 -40.37 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.121 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.544 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.5 p -68.58 -41.56 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.098 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 46.3 mt -67.73 -43.88 78.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.387 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.474 ' HA ' HD12 ' B' ' 697' ' ' LEU . 35.0 mt-10 -63.74 -34.47 77.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.361 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.1 84.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 0.0 110.268 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.652 HG21 HD22 ' B' ' 654' ' ' LEU . 46.2 mm -61.18 -51.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.19 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' B' ' 694' ' ' PRO . 53.3 tt0 -65.18 -28.83 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.098 -178.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -73.43 -33.8 65.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.307 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.61 -33.93 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.291 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' B' ' 689' ' ' PRO . 89.7 mt -69.37 -70.76 0.26 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 50.7 m 45.94 53.12 9.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.351 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 66.76 81.03 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.775 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.565 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.5 mt -104.78 155.75 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.607 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 15.2 m -79.76 164.31 23.78 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.33 -38.64 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 111.55 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.02 -45.02 91.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.315 0.579 . . . . 0.0 110.557 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 32.9 mt-10 -70.92 -31.57 68.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.461 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.588 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 78.4 mt-30 -73.18 -26.85 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.778 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.28 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.368 0.604 . . . . 0.0 109.381 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . 0.422 ' HB3' ' HE2' ' B' ' 651' ' ' LYS . 35.8 ttpt -63.05 -49.48 74.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.674 176.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -124.15 98.98 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.046 0.45 . . . . 0.0 110.407 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' B' ' 649' ' ' GLN . 28.4 ttm180 -127.08 158.46 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.887 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.652 HD22 HG21 ' B' ' 637' ' ' ILE . 53.4 mt -62.02 128.93 38.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.528 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.65 -81.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.531 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -86.46 -8.76 57.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.8 p -71.23 -37.36 72.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.168 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.17 -24.78 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.015 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -100.24 -157.33 28.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.319 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 87.1 -142.83 18.5 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.101 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 10.7 t -77.07 -13.69 59.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.186 0.517 . . . . 0.0 110.621 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 23.0 m -105.57 20.59 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.412 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.91 -48.23 54.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.3 p -52.98 -47.64 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.155 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.98 -34.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 111.552 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.72 -42.21 51.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.539 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' B' ' 667' ' ' ARG . 45.3 ttm105 -68.71 -39.87 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . 0.463 ' O ' ' HG2' ' B' ' 672' ' ' ARG . 22.4 ttmm -62.46 -50.17 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.234 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.14 -36.65 82.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -37.78 88.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -73.67 -23.69 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.279 -0.263 . . . . 0.0 111.123 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' B' ' 668' ' ' LYS . 21.2 mmm180 -72.27 -6.75 45.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.748 0.309 . . . . 0.0 111.018 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.614 HG23 ' HG3' ' B' ' 703' ' ' LYS . 12.3 pt -125.19 -47.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.407 ' OH ' ' HG2' ' B' ' 699' ' ' ARG . 73.5 m-85 -116.48 39.06 3.23 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 122.388 -0.195 . . . . 0.0 110.659 -177.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.85 -60.11 0.32 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.25 -10.0 58.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -129.36 23.72 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.08 86.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -175.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.363 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.96 -47.99 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 109.982 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.48 -49.15 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.63 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.455 ' HA ' HD11 ' B' ' 685' ' ' LEU . 95.0 mt -62.51 -38.83 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.99 -32.63 67.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -64.77 -33.36 87.02 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.899 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.455 HD11 ' HA ' ' B' ' 682' ' ' ILE . 86.8 mt -60.91 -35.22 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.114 0.483 . . . . 0.0 110.144 173.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.438 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 46.5 mmm-85 -77.6 -32.54 53.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.899 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -64.9 -55.41 19.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -152.64 102.5 2.71 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.99 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.513 ' HB2' HD11 ' B' ' 641' ' ' LEU . 42.5 Cg_endo -67.52 -29.55 36.96 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.0 2.466 . . . . 0.0 113.407 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 88.5 p -72.59 -13.93 61.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.847 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.466 ' O ' ' HD2' ' B' ' 694' ' ' PRO . 66.6 mt -99.8 -66.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' B' ' 685' ' ' LEU . . . -68.32 -40.93 81.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.642 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.0 t -53.43 -56.08 28.12 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.642 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 48.0 Cg_exo -58.23 -41.83 62.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.042 1.828 . . . . 0.0 113.358 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.458 HD12 HG21 ' A' ' 222' ' ' THR . 26.9 mt -69.39 -51.01 46.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.424 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.84 -31.1 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.251 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 2.5 tt -65.7 -48.23 72.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.953 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 55.3 mttp -63.03 -38.71 92.28 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.407 ' HG2' ' OH ' ' B' ' 674' ' ' TYR . 15.9 tpp180 -64.84 -42.71 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.271 0.558 . . . . 0.0 109.923 178.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.402 ' HG ' HD12 ' B' ' 631' ' ' ILE . 53.1 tp -69.14 -31.85 70.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.617 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.485 ' HD2' HD11 ' B' ' 631' ' ' ILE . 8.3 tptp -70.55 -37.04 73.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.99 -41.39 91.93 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.552 0.691 . . . . 0.0 109.805 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.614 ' HG3' HG23 ' B' ' 673' ' ' ILE . 52.4 mmtt -73.0 -29.38 62.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.09 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.434 ' CD ' ' HZ3' ' B' ' 701' ' ' LYS . 18.6 tt0 -59.95 -47.11 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 38.5 mt-10 -54.71 -49.07 71.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.884 175.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.11 -55.97 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.337 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.4 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.9 m0 -65.98 -42.2 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.501 ' HA ' HD12 ' B' ' 624' ' ' LEU . 31.8 tpt180 -68.24 -38.08 81.46 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.659 -176.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -68.33 -34.39 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . 0.496 ' HB1' HD12 ' A' ' 207' ' ' LEU . . . -63.44 -46.82 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.503 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 16.5 tt0 -65.08 -41.23 95.21 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 109.794 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.45 -49.01 77.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.408 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.78 -47.12 6.42 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.221 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . 0.402 ' O ' ' HB2' ' B' ' 718' ' ' TRP . 86.0 t80 -89.94 -65.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.205 0.502 . . . . 0.0 111.927 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.453 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 24.9 t-20 -57.0 -58.03 9.94 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -169.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -62.79 -51.29 67.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -175.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.447 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 65.4 t -64.3 -33.78 64.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . 0.467 ' HH2' ' HE1' ' B' ' 611' ' ' TYR . 3.2 t90 -64.91 -37.45 87.69 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 18.0 mtp180 -64.4 -51.09 64.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.96 -19.34 60.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.82 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 717' ' ' VAL . 50.0 mt-30 -90.33 -49.46 6.53 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.31 -44.87 18.82 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 3.6 mm-40 -70.66 -26.43 63.45 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.167 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -100.16 143.62 30.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.951 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . 0.563 ' HB3' ' HB3' ' B' ' 729' ' ' SER . 53.2 m-85 -70.56 137.1 49.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.215 -177.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . 0.426 ' CD2' ' HG ' ' B' ' 727' ' ' LEU . 17.5 t80 -135.67 120.44 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.732 -172.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . 0.426 ' HG ' ' CD2' ' B' ' 726' ' ' TYR . 71.0 mt 67.73 30.87 6.22 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.785 171.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -164.18 -34.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 729' ' ' SER . . . . . 0.563 ' HB3' ' HB3' ' B' ' 725' ' ' TYR . 8.2 t . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.699 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -74.68 -22.43 58.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -111.2 26.72 10.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.818 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . 61.08 -165.54 0.22 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.826 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -156.19 111.21 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.2 mt -80.22 78.86 6.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -87.02 -48.08 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.999 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.416 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 54.6 m-85 69.58 -71.43 0.12 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.895 0.747 . . . . 0.0 111.27 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.66 156.08 38.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.533 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 63.1 mt -97.13 132.01 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 169.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.8 m -65.81 156.67 32.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.411 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.45 -47.48 27.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -173.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -64.73 -25.89 68.13 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.02 -52.35 29.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.492 ' CG2' ' HB2' ' B' ' 677' ' ' LYS . 76.1 mt -59.01 -47.54 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.662 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.543 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 46.9 ttm -60.45 -41.67 94.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.851 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.65 -46.69 80.9 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.614 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 87.4 m-20 -60.38 -48.32 82.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.464 HD12 HD11 ' B' ' 681' ' ' ILE . 8.3 mp -55.56 -40.03 71.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.986 0.422 . . . . 0.0 111.321 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 217' ' ' MET . 2.7 mmp_? -79.27 -17.14 55.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 64.0 m -84.86 -40.34 17.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.285 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.1 mt -56.82 -43.11 80.69 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.244 0.545 . . . . 0.0 110.94 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -90.67 13.88 14.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.353 0.597 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.581 ' HZ3' ' HB2' ' A' ' 225' ' ' LYS . 4.1 ttmp? -107.34 -27.21 10.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.966 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.708 HD13 HG22 ' B' ' 691' ' ' ILE . 84.1 mt -83.34 39.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -83.67 103.87 13.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.963 0.411 . . . . 0.0 110.367 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.54 174.197 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.744 0.307 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -143.92 118.96 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 0.0 109.878 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.57 59.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.29 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.16 -171.39 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.333 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -93.15 -14.14 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.017 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 47.6 mm 73.16 108.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 O-C-N 123.87 0.732 . . . . 0.0 111.988 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -138.87 84.98 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.281 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -101.48 162.44 12.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.756 -178.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 17.4 t 58.93 66.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.792 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.04 8.99 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.304 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 6.6 t0 70.48 99.87 0.06 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.878 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.58 -39.02 74.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.092 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.99 -42.67 97.12 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.529 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -52.5 -44.86 65.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.03 -46.51 87.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.446 ' O ' HD22 ' B' ' 624' ' ' LEU . 96.6 mt -73.97 -43.1 59.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.185 0.517 . . . . 0.0 111.82 -174.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' B' ' 625' ' ' GLU . 5.7 t0 -63.22 -47.2 83.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.69 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.03 -45.27 91.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.556 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.79 -38.95 81.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.023 -177.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -66.54 -46.76 75.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.266 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' B' ' 621' ' ' ASP . 43.7 mm-40 -62.67 -45.87 90.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.257 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.502 HG23 ' HB1' ' B' ' 669' ' ' ALA . 25.1 m -60.68 -40.15 91.06 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.32 0.581 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.556 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -59.54 -55.78 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.267 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.459 HD21 HH21 ' B' ' 708' ' ' ARG . 1.0 OUTLIER -58.56 -42.97 89.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.971 -175.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.04 92.4 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 110.768 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 32.0 m -69.07 -35.7 76.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.656 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.556 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.4 mm -56.96 -49.28 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -53.6 -55.75 23.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.534 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.677 ' O ' HG12 ' B' ' 637' ' ' ILE . 13.4 p -65.1 -38.62 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.174 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.866 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.1 mm? -62.3 -48.57 79.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.59 0.233 . . . . 0.0 111.492 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.66 -32.54 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.291 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.56 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.673 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.677 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.4 mm -63.82 -52.89 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.84 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.44 -34.1 72.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.53 -49.01 78.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.702 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.72 -38.5 83.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -61.82 -60.15 4.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.933 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 48.9 m 58.7 23.37 11.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.842 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 643' ' ' ARG . 32.4 mtp-105 67.57 91.73 0.09 Allowed 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.791 0.682 . . . . 0.0 110.972 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 93.1 mt -101.39 164.94 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 15.3 t -74.49 167.48 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.092 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.57 -50.12 63.6 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.84 -33.93 75.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.616 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.587 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 49.2 mt-10 -74.19 -32.76 63.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.95 -25.4 63.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.332 0.586 . . . . 0.0 110.655 176.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.95 -33.04 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.32 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . 0.431 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 4.4 tmmm? -73.42 -59.17 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.006 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.77 97.68 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 24.0 ttm180 -122.19 159.84 26.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.658 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.552 ' HG ' HD11 ' B' ' 658' ' ' LEU . 2.3 mm? -82.72 85.87 6.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.263 0.554 . . . . 0.0 111.237 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -114.33 -27.88 7.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.623 172.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -83.18 -3.24 57.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.637 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 15.3 t -159.16 171.21 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.435 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.552 HD11 ' HG ' ' B' ' 654' ' ' LEU . 72.1 mt 62.72 17.21 9.6 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.647 0.592 . . . . 0.0 110.653 -172.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -170.51 150.16 13.87 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 84.64 -95.62 1.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.885 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 20.1 p -79.32 124.61 28.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.786 0.326 . . . . 0.0 111.484 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 20.3 m 66.17 19.34 11.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.0 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.44 -25.78 57.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.257 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.65 -48.6 59.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.64 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.5 pt -70.34 -32.83 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.425 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.03 -42.15 27.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.018 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.635 ' HG3' HD12 ' B' ' 682' ' ' ILE . 56.8 ttm-85 -65.27 -42.62 93.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -65.54 -38.53 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.502 ' HB1' HG23 ' B' ' 626' ' ' THR . . . -65.78 -40.07 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.444 HD12 HG12 ' B' ' 682' ' ' ILE . 85.6 mt -71.89 -35.56 69.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -70.78 -24.31 62.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.75 0.31 . . . . 0.0 110.749 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -65.43 -36.99 85.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.852 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.54 HG22 ' HG3' ' B' ' 703' ' ' LYS . 17.7 pt -101.24 -34.25 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.983 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.423 ' CD2' HG13 ' B' ' 673' ' ' ILE . 81.3 m-85 -105.38 32.28 4.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.13 -40.22 0.2 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.08 -49.65 9.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.492 ' HB2' ' CG2' ' A' ' 216' ' ' ILE . 74.5 mmtt -118.88 33.52 5.61 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.68 70.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.674 0.273 . . . . 0.0 111.492 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -54.4 -37.89 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.358 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -86.47 -29.7 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.108 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.464 HD11 HD12 ' A' ' 220' ' ' LEU . 45.0 mm -70.79 -45.21 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.012 0.435 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.635 HD12 ' HG3' ' B' ' 667' ' ' ARG . 91.9 mt -64.51 -44.2 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.094 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.75 -33.78 75.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.01 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.09 43.67 Favored Glycine 0 C--N 1.333 0.405 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.902 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.39 -34.11 76.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.38 . . . . 0.0 111.362 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.486 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 58.2 mtp180 -98.95 17.06 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.416 ' HG2' ' OD1' ' B' ' 688' ' ' ASN . 32.5 ttpt -128.79 -53.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . 0.418 ' HB3' ' HB ' ' B' ' 691' ' ' ILE . 19.8 m120 -128.82 83.48 66.06 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.736 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.567 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 35.6 Cg_endo -64.96 -39.28 25.27 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.181 1.921 . . . . 0.0 113.382 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 7.6 t -79.56 0.85 28.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.209 0.528 . . . . 0.0 110.342 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.708 HG22 HD13 ' A' ' 226' ' ' LEU . 63.1 mt -111.74 -61.19 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.674 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.94 35.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.229 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.571 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 55.2 t -48.85 -55.33 20.74 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.2 Cg_endo -56.94 -43.51 53.45 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.827 1.685 . . . . 0.0 112.79 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.552 HD11 HD21 ' A' ' 223' ' ' LEU . 60.0 mt -68.75 -53.26 27.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.888 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.11 -38.78 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.362 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.866 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.1 tt -63.81 -44.37 93.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.28 -35.83 80.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.819 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.421 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 37.1 mmt180 -62.99 -37.52 87.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.177 0.513 . . . . 0.0 109.866 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.401 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 67.6 mt -66.08 -32.57 74.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.999 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.52 -34.95 67.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.743 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 4.7 ttm -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 109.754 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.54 ' HG3' HG22 ' B' ' 673' ' ' ILE . 64.8 mmtt -72.63 -29.89 63.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.298 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.08 -50.08 70.05 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.3 -48.5 78.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.49 -55.36 35.59 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.416 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 17.3 m0 -68.06 -34.37 76.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.997 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.459 HH21 HD21 ' B' ' 628' ' ' LEU . 33.3 mmt180 -68.19 -35.64 78.32 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.838 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.46 -36.28 65.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.769 0.319 . . . . 0.0 110.385 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.27 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.244 0.545 . . . . 0.0 109.924 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -63.35 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.117 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.607 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 44.0 ttt180 -54.15 -40.04 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.315 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -70.87 -52.56 14.13 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.746 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -89.16 -67.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.94 -35.12 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.607 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 4.2 tmtm? -62.37 -51.52 67.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.34 -41.76 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.611 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.45 -47.69 75.65 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.414 . . . . 0.0 110.953 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 719' ' ' ARG . 32.6 tpt85 -60.4 -43.22 96.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 26.7 mt-10 -72.34 -29.48 63.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.232 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.792 HE21 ' HA ' ' B' ' 721' ' ' GLN . 0.0 OUTLIER -80.5 -11.12 59.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.673 175.506 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.77 -35.54 33.09 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.76 -63.34 1.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.747 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -96.13 155.28 16.82 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -124.56 -178.45 4.13 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -78.73 104.54 9.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.102 0.477 . . . . 0.0 110.835 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.7 mt -81.51 165.27 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.154 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . 0.491 ' HD2' ' N ' ' B' ' 728' ' ' LYS . 11.8 mptt -114.55 172.56 6.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.583 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.873 179.714 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -114.9 109.06 17.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.666 0.27 . . . . 0.0 110.326 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -87.08 165.54 15.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.655 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . 0.485 ' HB2' ' HA ' ' B' ' 710' ' ' ALA . . . -128.51 178.93 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -98.64 130.25 45.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.272 -176.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.543 ' HB3' ' HE2' ' A' ' 209' ' ' TYR . 95.5 mt -109.48 98.56 7.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.609 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -95.4 -58.79 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.226 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.543 ' HE2' ' HB3' ' A' ' 207' ' ' LEU . 89.8 m-85 71.69 -50.04 0.69 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.292 0.637 . . . . 0.0 112.214 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 48.1 tp -86.41 168.37 13.86 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.443 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 91.4 mt -114.0 145.04 42.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 4.0 m -60.74 147.56 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.719 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.13 -40.39 46.03 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.0 -46.75 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.756 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.53 -47.56 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.77 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.484 HG12 ' HD1' ' B' ' 674' ' ' TYR . 59.2 mt -56.56 -49.68 76.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.182 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.466 ' HG2' ' HD3' ' A' ' 221' ' ' ARG . 48.2 ttm -72.8 -28.7 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.664 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.62 -49.3 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.7 m-20 -58.11 -52.25 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 47.2 tp -55.25 -40.69 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.908 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.466 ' HD3' ' HG2' ' A' ' 217' ' ' MET . 11.5 mtp180 -73.18 -38.75 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.44 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' THR . . . . . 0.697 ' HA ' ' HD2' ' A' ' 225' ' ' LYS . 95.3 m -64.82 -30.27 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.124 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -59.21 -19.66 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.321 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -103.82 -6.56 21.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.697 ' HD2' ' HA ' ' A' ' 222' ' ' THR . 60.4 mttm -89.24 -14.81 35.07 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -4.91 16.59 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -143.35 89.49 2.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.158 0.504 . . . . 0.0 110.166 173.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.054 -177.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -99.19 21.23 12.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 0.0 110.171 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 64.47 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.367 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -94.44 -17.44 22.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -171.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 25.4 t60 65.51 93.04 0.07 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -169.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.74 119.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.46 0.647 . . . . 0.0 110.99 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -85.27 62.02 7.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.285 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -120.49 -20.22 7.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . 0.498 ' HG ' ' CD ' ' B' ' 614' ' ' GLU . 1.1 p -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.322 0.582 . . . . 0.0 110.125 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.498 ' CD ' ' HG ' ' B' ' 613' ' ' CYS . 49.3 mp0 -80.52 2.85 23.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.219 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.35 13.15 3.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.886 0.851 . . . . 0.0 109.613 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' B' ' 614' ' ' GLU . 4.0 tp10 -77.87 -33.77 51.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.366 -176.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -61.65 -38.34 87.37 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.343 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.79 -48.64 69.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.041 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.95 -42.27 99.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.253 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.497 ' HA ' HG12 ' B' ' 623' ' ' VAL . 3.9 mm? -64.58 -45.57 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.434 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.49 -42.62 98.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.156 0.503 . . . . 0.0 109.941 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.27 -45.36 86.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.562 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.2 p -68.87 -37.01 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.236 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -65.79 -45.09 83.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.84 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.87 -50.12 73.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.479 0.657 . . . . 0.0 109.804 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.674 HG22 ' HB ' ' B' ' 665' ' ' ILE . 94.5 m -63.82 -43.7 95.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.549 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.509 ' OD1' ' HA ' ' B' ' 704' ' ' GLU . 3.4 t-20 -56.29 -59.37 5.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.022 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.482 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.5 tt -65.91 -30.37 70.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.725 -173.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . 0.562 ' O ' HG22 ' B' ' 633' ' ' VAL . . . -60.29 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 109.842 173.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 14.4 m -63.39 -34.68 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.445 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.519 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 33.3 mm -52.39 -52.71 23.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.156 0.503 . . . . 0.0 110.398 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 74.2 mtp180 -65.11 -30.03 70.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.992 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 629' ' ' ALA . 41.1 t -64.67 -64.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.269 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.448 ' HB2' HD13 ' B' ' 697' ' ' LEU . 3.4 mm? -58.37 -38.98 78.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.381 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 1.3 mm-40 -59.83 -48.23 82.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.649 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.96 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.712 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.498 HG13 ' O ' ' B' ' 633' ' ' VAL . 81.5 mt -64.74 -47.69 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.79 -39.29 84.47 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 67.3 mttm -63.31 -41.0 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -70.17 -36.79 74.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.614 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 95.9 mt -64.81 -60.13 3.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 52.8 m 56.35 24.76 8.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.983 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . 0.487 ' HG2' ' HB3' ' B' ' 690' ' ' SER . 66.7 mtt180 54.96 65.49 1.49 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.326 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.4 mt -65.57 166.67 10.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.217 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 14.7 m -65.69 162.52 18.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.83 -45.04 67.12 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.004 0.43 . . . . 0.0 111.801 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -61.25 -39.38 90.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.661 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 33.1 mt-10 -79.82 -22.52 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.457 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -73.49 -27.47 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.027 0.441 . . . . 0.0 110.062 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.03 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.961 170.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -57.77 -58.48 8.18 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.276 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -107.19 80.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.845 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -98.66 153.71 18.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' B' ' 685' ' ' LEU . 8.4 mp -75.27 58.54 0.96 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -114.34 -3.8 13.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.321 0.581 . . . . 0.0 110.159 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -105.27 1.19 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.515 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 19.0 m -145.17 152.04 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.155 -178.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' B' ' 657' ' ' THR . 82.6 mt 71.27 21.11 4.81 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.608 0.568 . . . . 0.0 111.09 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -145.78 139.38 8.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.621 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 78.46 -91.83 1.17 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.697 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 661' ' ' THR . . . . . 0.442 ' C ' ' HG ' ' B' ' 662' ' ' SER . 19.3 p -72.29 136.2 46.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.437 0.16 . . . . 0.0 111.198 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 662' ' ' SER . . . . . 0.442 ' HG ' ' C ' ' B' ' 661' ' ' THR . 78.3 p 51.26 26.36 2.94 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.555 0.742 . . . . 0.0 111.719 -178.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.55 -40.59 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.89 -47.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.879 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.674 ' HB ' HG22 ' B' ' 626' ' ' THR . 25.2 pt -68.55 -41.63 83.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.168 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -70.63 -43.75 68.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' B' ' 667' ' ' ARG . 16.7 ttm-85 -65.53 -42.03 92.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.051 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.67 -45.54 93.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.85 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.635 HD11 HD13 ' B' ' 673' ' ' ILE . 12.8 tp -71.03 -33.98 70.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.353 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.625 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 33.4 mt-30 -69.41 -24.61 63.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.637 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -78.25 -27.87 47.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.901 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.635 HD13 HD11 ' B' ' 670' ' ' LEU . 32.6 pt -95.31 -32.18 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.303 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.484 ' HD1' HG12 ' A' ' 216' ' ' ILE . 32.6 m-85 -122.66 48.59 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . 0.625 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -31.78 -53.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.67 -37.25 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.11 25.17 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.31 97.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.786 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.336 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.48 -43.95 72.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.096 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.99 -47.18 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.606 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.421 ' HA ' HD11 ' B' ' 685' ' ' LEU . 98.8 mt -61.09 -42.15 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.07 -43.43 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.041 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.02 98.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.291 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.622 HD22 HG13 ' B' ' 696' ' ' VAL . 58.7 mt -56.04 -38.32 70.41 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.08 -52.83 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.826 0.346 . . . . 0.0 110.754 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.496 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 11.4 ttmt -59.4 -51.86 68.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.076 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -133.31 82.95 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.24 -50.63 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.464 2.11 . . . . 0.0 113.085 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 690' ' ' SER . . . . . 0.487 ' HB3' ' HG2' ' B' ' 643' ' ' ARG . 24.2 m -66.57 -10.12 42.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.669 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 36.3 mt -91.72 -45.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.83 0.347 . . . . 0.0 110.571 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -84.09 -40.59 18.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -175.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.45 HG11 ' HD3' ' B' ' 694' ' ' PRO . 2.9 p -59.37 -36.04 36.91 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.45 ' HD3' HG11 ' B' ' 693' ' ' VAL . 11.7 Cg_exo -72.31 -40.98 2.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 121.493 1.462 . . . . 0.0 111.697 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 15.1 mt -67.52 -51.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.393 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.622 HG13 HD22 ' B' ' 685' ' ' LEU . 4.3 p -65.07 -33.82 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.37 -175.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.481 HD21 ' HG2' ' B' ' 635' ' ' GLU . 56.4 tp -72.72 -34.9 67.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.614 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.16 -45.21 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.229 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.449 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 29.8 mmt180 -62.6 -39.73 94.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.277 0.56 . . . . 0.0 109.874 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.519 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 27.4 tp -66.51 -32.45 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.615 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.508 ' HD2' HD12 ' B' ' 631' ' ' ILE . 4.8 mptp? -71.9 -37.62 70.08 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.5 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.4 ttp -63.47 -40.07 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.405 ' HE2' HG21 ' B' ' 673' ' ' ILE . 15.7 mmtm -70.12 -33.45 71.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.081 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.509 ' HA ' ' OD1' ' B' ' 627' ' ' ASN . 32.7 tt0 -55.72 -43.88 76.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.182 0.515 . . . . 0.0 109.749 174.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.1 -42.42 84.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' B' ' 709' ' ' GLU . 35.4 tt0 -59.5 -48.9 79.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -71.95 -28.91 63.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -64.69 -39.25 93.33 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 171.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' B' ' 706' ' ' GLU . 27.7 mm-40 -56.89 -49.47 75.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.576 174.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 205' ' ' ALA . . . -65.76 -43.11 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.093 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.48 -37.07 85.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.641 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.509 ' HG2' ' HD2' ' B' ' 716' ' ' LYS . 58.5 mtm-85 -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.372 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -86.57 -48.71 4.4 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.952 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.73 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.77 -42.07 67.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.509 ' HD2' ' HG2' ' B' ' 712' ' ' ARG . 53.9 tttm -61.8 -57.32 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.93 -38.35 65.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -54.94 -56.19 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -63.58 -39.63 94.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.209 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 25.4 mt-10 -63.24 -34.97 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.479 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -89.04 -13.95 37.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.986 0.422 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.4 -38.51 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.06 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.94 -43.27 45.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' B' ' 720' ' ' GLU . 24.8 pttm -117.3 157.94 25.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -126.43 -68.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -122.7 147.54 46.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . 0.4 ' N ' HD11 ' B' ' 727' ' ' LEU . 6.6 mp -88.08 37.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.53 -174.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -160.76 147.11 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.184 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.384 174.182 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.767 0.318 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -99.48 141.09 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . 58.54 -161.79 0.24 Allowed 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.566 0.541 . . . . 0.0 111.108 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -150.74 103.75 3.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.258 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -77.31 90.48 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.415 0.626 . . . . 0.0 109.812 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.46 136.78 57.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.86 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -76.7 84.56 3.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.735 0.779 . . . . 0.0 109.964 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.12 -48.27 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.476 HD21 ' O ' ' B' ' 672' ' ' ARG . 76.7 mt -72.76 139.14 46.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.177 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.02 155.5 28.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 46.7 p -73.4 152.24 40.88 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.415 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 -31.61 60.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.12 -54.64 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.03 -34.69 78.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.007 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.59 -51.3 69.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.778 178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.315 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.16 -52.3 65.85 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.328 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.72 -51.33 69.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.264 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.2 mp -53.75 -45.91 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.569 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 1.6 mmp_? -70.47 -32.62 70.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.939 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 77.7 m -67.19 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 110.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.452 ' HA ' HG21 ' B' ' 691' ' ' ILE . 88.3 mt -59.18 -20.7 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -107.38 -21.37 12.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.378 0.609 . . . . 0.0 109.893 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -98.69 8.05 45.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.08 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.563 HD23 HG12 ' B' ' 691' ' ' ILE . 31.7 tp -70.79 130.9 42.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.057 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -109.65 113.79 26.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.399 0.619 . . . . 0.0 111.318 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.822 175.716 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -125.41 144.01 50.72 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.48 173.85 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.765 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.94 5.52 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -86.64 49.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.67 102.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.13 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -81.55 129.05 34.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.247 0.546 . . . . 0.0 110.44 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -125.22 170.06 11.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.247 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' B' ' 616' ' ' GLU . 4.8 p -68.64 115.86 8.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.14 -66.27 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.08 -172.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.62 16.52 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.923 -170.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' B' ' 613' ' ' CYS . 42.1 tt0 -71.34 -63.32 1.14 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.052 0.453 . . . . 0.0 109.958 -172.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 617' ' ' ARG . 9.0 ttp180 -64.3 -33.96 77.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.71 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.6 -54.39 47.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.982 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.405 ' CD ' HH12 ' B' ' 672' ' ' ARG . 39.3 tt0 -69.01 -29.84 68.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.432 ' O ' HD23 ' B' ' 624' ' ' LEU . 1.4 mm? -66.22 -43.12 87.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.11 -41.45 81.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.074 0.464 . . . . 0.0 109.953 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.85 -48.01 88.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.498 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' B' ' 620' ' ' LEU . 13.3 p -65.53 -36.1 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.054 -177.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.432 HD23 ' O ' ' B' ' 620' ' ' LEU . 2.6 mm? -66.85 -40.42 87.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 110.6 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.39 -48.43 81.28 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.557 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.495 HG21 ' HB3' ' B' ' 669' ' ' ALA . 29.8 m -61.07 -41.91 97.5 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.454 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.462 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.3 t-20 -58.07 -61.06 2.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.705 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.39 -41.16 72.27 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.56 73.0 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 110.887 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 58.8 m -67.11 -35.39 79.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.849 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' B' ' 635' ' ' GLU . 24.9 mm -58.79 -55.71 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.282 174.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -56.43 -45.21 80.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.316 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.665 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.6 p -64.76 -42.75 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.661 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 44.8 mt -70.72 -36.1 73.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.516 ' HA ' HD11 ' B' ' 697' ' ' LEU . 52.7 mt-10 -59.45 -41.61 90.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -62.79 -43.61 98.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.774 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.665 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.5 mm -61.11 -54.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.031 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . 0.436 ' NE2' ' HA ' ' B' ' 694' ' ' PRO . 8.6 tt0 -60.65 -36.18 78.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 110.618 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -61.6 -47.13 86.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.436 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 97.9 mttt -68.6 -28.63 67.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -73.28 -70.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.676 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.0 m 55.03 32.84 19.0 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 69.34 96.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.885 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.762 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 97.1 mt -112.4 162.41 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.223 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.474 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 36.0 t -76.06 163.74 26.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.11 -34.31 63.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 111.671 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.14 -40.11 86.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.213 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.762 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 36.7 mt-10 -75.1 -32.2 61.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.19 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' B' ' 645' ' ' SER . 76.2 mt-30 -65.95 -31.54 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.399 176.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.77 64.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -78.1 -56.25 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.101 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -110.29 102.86 11.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 40.2 ttp180 -135.36 165.99 24.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.969 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.498 HD21 ' O ' ' B' ' 685' ' ' LEU . 2.9 mm? -79.81 97.34 6.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.065 0.459 . . . . 0.0 109.972 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -132.03 -80.39 0.51 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.96 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -99.77 6.03 45.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 p -84.37 -32.39 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.541 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.4 tt -101.65 -28.34 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -91.8 -177.0 42.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.724 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 110.01 -128.15 8.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.637 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 17.0 p -73.88 -44.63 54.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 29.1 p -94.03 20.96 7.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.25 0.547 . . . . 0.0 110.809 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.0 -47.67 85.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.255 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.87 -45.71 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.344 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.5 -34.67 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 O-C-N 122.23 -0.294 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -70.05 -43.24 71.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 667' ' ' ARG . 8.7 tpt180 -61.12 -49.06 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.225 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.39 -38.36 83.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.486 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.495 ' HB3' HG21 ' B' ' 626' ' ' THR . . . -65.94 -45.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.735 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.9 -32.07 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -72.03 -28.05 63.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.559 0.219 . . . . 0.0 111.31 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.476 ' O ' HD21 ' A' ' 210' ' ' LEU . 10.0 ttm180 -73.49 -29.98 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.561 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.62 -39.28 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.929 0.395 . . . . 0.0 111.491 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -114.29 39.31 2.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.307 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.1 -38.51 3.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -76.32 -43.05 42.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.508 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.438 ' O ' HG12 ' B' ' 681' ' ' ILE . 70.7 mmtt -120.64 33.97 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . 0.517 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -59.27 -46.12 89.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.203 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.15 79.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -69.73 -39.97 76.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.198 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.438 HG12 ' O ' ' B' ' 677' ' ' LYS . 47.5 mm -71.04 -40.64 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 678' ' ' ALA . 33.4 mm -57.46 -46.59 85.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.05 0.453 . . . . 0.0 109.964 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.6 -41.99 99.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.37 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.2 -43.51 98.36 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.501 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.498 ' O ' HD21 ' B' ' 654' ' ' LEU . 87.8 mt -57.81 -44.06 86.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.237 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' B' ' 682' ' ' ILE . 59.1 mtm180 -73.9 -25.25 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.046 0.451 . . . . 0.0 110.552 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.453 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 36.9 ttmt -80.61 -50.16 10.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.218 -175.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -149.14 97.51 3.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.258 0.552 . . . . 0.0 110.228 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.455 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 37.2 Cg_endo -65.91 -25.11 52.69 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.903 2.402 . . . . 0.0 112.42 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 23.1 t -75.83 -9.56 58.7 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.435 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.563 HG12 HD23 ' A' ' 226' ' ' LEU . 43.8 mt -106.62 -65.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.58 95.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.631 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.3 t -55.83 -53.93 57.55 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.631 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -54.89 -41.94 73.66 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.175 1.917 . . . . 0.0 112.909 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.551 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.6 mt -73.53 -49.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.911 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.479 HG13 HD23 ' B' ' 685' ' ' LEU . 2.9 p -64.27 -33.77 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.229 0.537 . . . . 0.0 110.289 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' B' ' 635' ' ' GLU . 1.9 tt -68.32 -40.25 81.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -57.83 -42.75 84.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.929 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 34.1 mmt180 -63.39 -46.58 85.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.334 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.81 -32.85 71.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.797 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.402 ' HE2' ' OE1' ' B' ' 704' ' ' GLU . 3.1 tptm -73.06 -35.85 66.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.092 0.472 . . . . 0.0 109.83 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 54.2 ttp -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.521 173.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.431 ' HZ2' ' CD ' ' B' ' 706' ' ' GLU . 4.6 tptp -71.76 -31.5 66.7 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.402 ' OE1' ' HE2' ' B' ' 701' ' ' LYS . 35.1 tt0 -57.37 -49.0 77.57 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.77 -49.48 68.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.52 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . 0.431 ' CD ' ' HZ2' ' B' ' 703' ' ' LYS . 37.3 tt0 -60.66 -50.23 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -65.59 -33.85 76.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.741 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.419 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 51.2 mm-40 -65.51 -36.53 84.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.855 0.359 . . . . 0.0 110.735 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.26 68.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 0.0 110.31 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.07 -37.25 86.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.905 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.58 ' HA ' ' CG ' ' B' ' 716' ' ' LYS . 10.0 ptm180 -74.1 -17.23 60.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -87.22 -50.38 3.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.697 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -90.19 -64.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.85 -56.53 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -167.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.58 ' CG ' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER -71.22 -29.93 65.74 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.116 -173.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.15 -44.04 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -52.13 -42.86 63.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.954 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 14.5 tpp180 -65.12 -58.99 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.658 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.11 -21.65 64.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.451 -174.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -82.11 -31.95 30.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.258 0.552 . . . . 0.0 109.68 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -67.4 -39.38 85.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.747 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 42.1 mm-40 -50.64 -66.83 0.32 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.462 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -148.01 159.89 43.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.126 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -150.58 -0.0 0.42 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.461 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.79 111.1 23.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.012 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.3 mt 61.74 179.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.799 0.687 . . . . 0.0 111.02 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.12 -38.66 56.6 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.855 178.635 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.597 0.237 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -113.48 32.57 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -88.44 15.14 8.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.4 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . 68.21 100.83 0.05 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.611 0.719 . . . . 0.0 111.417 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -82.65 105.02 13.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.763 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 80.1 mt -96.18 99.49 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . 0.585 ' HB2' ' OE2' ' B' ' 706' ' ' GLU . 85.5 m-20 -108.96 90.69 3.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' B' ' 673' ' ' ILE . 24.8 m-85 -68.99 -40.05 78.98 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.149 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.46 158.04 17.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.072 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.731 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 77.7 mt -100.04 155.38 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 25.1 p -69.36 137.68 53.06 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -63.3 -23.04 67.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.173 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.94 -54.07 46.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.13 -43.8 98.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.333 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.637 ' O ' ' HB2' ' A' ' 220' ' ' LEU . 72.4 mt -57.35 -46.9 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.594 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.41 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 44.4 ttm -68.56 -31.28 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.682 0.277 . . . . 0.0 110.639 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.53 -55.56 33.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.601 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.6 p30 -77.44 -29.38 52.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.962 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.637 ' HB2' ' O ' ' A' ' 216' ' ' ILE . 0.5 OUTLIER -53.86 -45.32 70.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 110.2 175.042 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 217' ' ' MET . 92.9 mtt180 -70.11 -43.89 70.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.348 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 226' ' ' LEU . 93.3 m -59.6 -32.85 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 83.3 mt -63.87 -16.59 61.74 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 121.143 0.497 . . . . 0.0 111.211 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.44 -43.09 3.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.688 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -90.27 16.82 7.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.465 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.5 ' HB2' ' O ' ' A' ' 222' ' ' THR . 1.2 tm? -74.55 98.73 3.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.86 127.55 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.2 0.524 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.027 179.598 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.787 0.327 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -139.33 157.54 45.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.217 0.532 . . . . 0.0 111.454 -175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -115.53 2.41 13.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.721 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.06 -13.13 45.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.322 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 63.12 88.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.17 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.52 111.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -74.38 81.54 1.9 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.702 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -100.31 102.13 13.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.36 1.076 . . . . 0.0 110.539 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 41.4 t -95.57 -29.13 14.51 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 62.06 20.31 11.51 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.462 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -136.91 9.84 3.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.528 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -69.48 -48.28 61.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.416 ' HD2' ' HA ' ' B' ' 715' ' ' ASN . 28.3 ttp-105 -56.13 -38.69 71.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.73 -48.15 83.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.65 -30.9 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.314 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.508 ' HA ' HG12 ' B' ' 623' ' ' VAL . 2.5 mm? -66.7 -40.44 88.47 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.766 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.38 -43.46 90.67 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.77 -53.44 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.474 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.4 p -63.94 -39.52 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.913 -0.13 . . . . 0.0 111.34 -176.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' B' ' 624' ' ' LEU . 1.9 mm? -63.94 -43.22 96.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.739 0.304 . . . . 0.0 110.849 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -71.33 -38.19 71.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.079 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.548 HG21 ' HB3' ' B' ' 669' ' ' ALA . 89.4 m -62.34 -45.18 94.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.277 0.56 . . . . 0.0 110.07 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.16 -44.3 95.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.202 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.87 -47.19 85.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.806 -177.578 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.52 94.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.15 0.5 . . . . 0.0 110.916 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.431 ' OG1' ' HA ' ' B' ' 666' ' ' HIS . 32.1 m -68.7 -36.62 78.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.483 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 1.0 OUTLIER -57.6 -47.56 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.559 174.498 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 15.7 mmm180 -67.27 -45.09 77.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.391 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.532 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.2 p -64.13 -41.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.053 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.411 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.3 mt -69.08 -41.14 77.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.479 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.408 ' OE2' HG21 ' B' ' 631' ' ' ILE . 43.3 mt-10 -63.91 -36.44 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.269 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.316 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.532 HG12 ' O ' ' B' ' 633' ' ' VAL . 47.9 mm -58.2 -44.55 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.226 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -55.61 -42.47 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -73.71 -35.14 65.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 28.4 mtpp -70.88 -29.07 65.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.373 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 81.2 mt -71.28 -64.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.34 174.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 74.9 m 49.12 38.31 12.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 67.72 82.78 0.17 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.956 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 81.1 mt -87.5 155.27 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.103 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 32.8 t -73.0 167.54 20.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.85 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.893 0.378 . . . . 0.0 111.034 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.83 -27.86 68.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.241 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.445 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.7 mt-10 -76.56 -34.65 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.461 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 45.3 mt-30 -73.47 -21.54 60.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.599 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.99 59.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 109.8 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -88.33 -60.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.853 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -103.52 112.13 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.248 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.48 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 18.2 ttp180 -131.83 171.29 13.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.36 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.462 ' H ' ' HG2' ' B' ' 653' ' ' ARG . 8.6 mp -78.74 63.42 3.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 0.0 111.003 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -109.32 127.52 54.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.014 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 69.77 7.13 6.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.034 0.534 . . . . 0.0 111.709 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 4.1 p -97.6 -38.68 9.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.295 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' B' ' 663' ' ' GLU . 7.9 mp -103.37 -1.97 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 110.228 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -108.89 171.66 15.69 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.0 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.31 -125.09 8.16 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.332 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 17.3 m -87.28 -43.95 11.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.023 0.44 . . . . 0.0 110.344 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.8 m -76.21 1.92 14.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' B' ' 658' ' ' LEU . 41.7 tt0 -59.37 -52.37 65.92 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.21 -33.86 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 0.0 111.158 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.403 HG23 HG23 ' B' ' 626' ' ' THR . 53.3 mt -67.08 -57.45 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . 0.431 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.3 m-70 -69.99 -36.9 75.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.41 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -61.0 -52.47 64.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.274 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.95 -44.56 94.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.319 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.548 ' HB3' HG21 ' B' ' 626' ' ' THR . . . -61.04 -44.94 96.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.81 HD23 HG12 ' B' ' 682' ' ' ILE . 14.0 tp -76.71 -36.88 56.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' B' ' 678' ' ' ALA . 86.5 mt-30 -66.5 -24.22 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.058 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.564 ' NE ' ' HA ' ' B' ' 672' ' ' ARG . 3.2 tpm_? -64.91 -51.66 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.699 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.731 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.0 pt -79.77 -39.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.577 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.649 ' CD1' HG13 ' B' ' 681' ' ' ILE . 30.7 m-85 -99.29 31.22 3.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.224 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.56 3.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.83 -15.52 56.16 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -152.55 35.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.418 0.628 . . . . 0.0 110.585 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . 0.422 ' HB2' ' HG2' ' B' ' 671' ' ' GLN . . . -62.28 -43.73 98.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.903 -173.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.4 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.755 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.05 -27.67 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.993 0.425 . . . . 0.0 110.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.649 HG13 ' CD1' ' B' ' 674' ' ' TYR . 47.5 mm -80.11 -45.67 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.199 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.81 HG12 HD23 ' B' ' 670' ' ' LEU . 82.9 mt -63.96 -37.04 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.34 0.591 . . . . 0.0 109.904 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.55 -25.23 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.652 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -57.58 -44.77 93.75 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.253 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.412 ' HB3' HD23 ' B' ' 654' ' ' LEU . 71.5 mt -62.89 -34.11 76.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.369 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.48 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 21.5 mtm180 -84.81 -28.54 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.566 . . . . 0.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -70.44 -62.69 1.29 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.843 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -130.41 90.73 40.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.731 -178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.461 ' HG2' ' OE1' ' B' ' 649' ' ' GLN . 18.8 Cg_endo -60.95 -46.34 16.47 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.196 1.931 . . . . 0.0 112.581 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 8.6 t -70.55 -3.93 20.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.194 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 44.8 mm -108.14 -59.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.15 61.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.583 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 48.3 t -52.19 -54.43 41.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.72 -176.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.583 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 32.1 Cg_exo -59.43 -44.54 32.07 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.814 1.676 . . . . 0.0 112.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.69 -54.26 20.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.61 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.84 -38.88 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.411 HD13 ' CB ' ' B' ' 634' ' ' LEU . 63.7 tp -65.87 -36.52 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 177.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.13 -42.84 99.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 110.633 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.627 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 22.2 mmt180 -63.48 -39.26 93.98 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.394 0.616 . . . . 0.0 110.527 176.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.483 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 16.9 tp -72.66 -29.62 63.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.675 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 62.5 mmtt -73.4 -33.7 65.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.064 175.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 55.0 ttp -61.52 -43.72 98.35 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.163 0.506 . . . . 0.0 109.712 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.458 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 25.7 mmtp -78.24 -27.27 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.025 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 171.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.12 -48.26 80.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.814 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . 0.585 ' OE2' ' HB2' ' A' ' 208' ' ' ASN . 30.6 tt0 -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -67.93 -28.42 67.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.39 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -46.13 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.92 -33.73 76.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.26 68.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.435 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 36.6 tt0 -65.59 -30.17 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.237 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 78.9 ttt180 -61.41 -33.92 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.374 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.41 -46.07 10.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.934 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -88.56 -65.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.915 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.582 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 49.7 t30 -68.91 -47.73 65.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.485 -171.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 50.0 tttm -62.41 -56.29 19.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.672 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.17 -39.75 74.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -58.07 -47.45 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 48.7 mtt180 -66.55 -40.78 89.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.473 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 18.2 mm-40 -55.42 -42.59 74.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.694 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -75.67 -31.13 59.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.98 -40.63 65.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 7.6 mm-40 -76.46 -65.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.027 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 64.0 mttm 55.34 -171.42 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.633 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -145.83 145.35 30.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.482 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.9 161.97 16.36 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 78.0 mt -110.88 143.11 41.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.941 0.4 . . . . 0.0 111.083 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -107.69 -56.54 2.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.094 175.2 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.29 -63.99 1.03 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.284 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -171.62 -175.47 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.237 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -73.53 99.04 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.916 0.388 . . . . 0.0 110.277 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -77.8 118.93 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.287 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.33 80.21 7.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.368 0.604 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -93.55 110.64 22.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.729 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -92.52 -49.39 6.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.911 0.386 . . . . 0.0 110.536 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -83.59 169.81 14.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.551 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.39 176.62 5.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.065 171.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -81.33 145.27 30.95 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.7 -35.75 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.38 0.609 . . . . 0.0 109.843 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.79 -55.23 32.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.148 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.14 -34.5 73.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.83 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.408 HG12 ' HD1' ' B' ' 674' ' ' TYR . 78.4 mt -62.49 -50.75 78.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.334 0.588 . . . . 0.0 110.359 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 45.1 ttm -67.38 -33.62 75.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.75 -45.43 85.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.222 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.82 -53.06 62.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.83 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.513 HD23 ' HD3' ' B' ' 677' ' ' LYS . 49.3 tp -55.85 -41.52 74.44 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.382 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 225' ' ' LYS . 99.3 mtt180 -69.61 -38.57 77.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.049 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' THR . . . . . 0.6 ' HA ' ' HD2' ' A' ' 225' ' ' LYS . 90.4 m -62.97 -32.52 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.733 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.51 -35.04 73.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.73 -15.66 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.509 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.6 ' HD2' ' HA ' ' A' ' 222' ' ' THR . 90.8 mttt -66.08 -40.51 90.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 110.752 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.7 6.55 44.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.94 129.16 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.895 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.38 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.678 0.275 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -100.66 83.29 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.465 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -146.29 32.07 1.0 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.655 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -43.5 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.463 -178.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -131.13 16.01 5.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.453 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 102.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.02 87.29 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.827 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -122.46 -31.83 3.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 13.6 m -81.26 57.41 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.985 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.58 120.39 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.141 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 58.58 21.4 8.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.227 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 4.6 tp10 -75.34 -45.0 42.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -71.85 -33.67 68.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.155 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . 0.449 ' O ' HG21 ' B' ' 622' ' ' VAL . 9.2 m-85 -61.7 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.49 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.72 -44.06 85.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.548 ' HB3' ' OE1' ' B' ' 711' ' ' GLN . 93.0 mt -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.705 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.26 -41.07 87.95 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . 0.449 HG21 ' O ' ' B' ' 618' ' ' PHE . 94.0 t -68.87 -51.33 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.477 HG11 ' HA ' ' B' ' 620' ' ' LEU . 7.2 p -61.1 -40.98 87.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.159 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.639 ' HG ' ' HG2' ' B' ' 711' ' ' GLN . 0.8 OUTLIER -61.38 -51.41 68.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 111.2 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.22 -42.93 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.505 HG21 ' HB3' ' B' ' 669' ' ' ALA . 20.8 m -64.18 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.195 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.503 ' O ' HG12 ' B' ' 631' ' ' ILE . 2.9 t-20 -61.75 -54.31 44.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.46 176.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 5.0 tt -61.79 -38.25 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.763 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.4 85.9 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.613 0.721 . . . . 0.0 110.339 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.522 HG22 HD22 ' B' ' 634' ' ' LEU . 24.1 m -66.85 -33.7 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.368 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.503 HG12 ' O ' ' B' ' 627' ' ' ASN . 43.2 mm -56.55 -48.57 80.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.259 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 71.7 mtp180 -57.21 -53.62 56.0 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.927 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.543 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.0 p -69.45 -33.77 58.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.665 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 0.6 OUTLIER -61.64 -50.34 72.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.621 0.248 . . . . 0.0 111.065 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.511 ' HA ' HD13 ' B' ' 697' ' ' LEU . 29.7 mt-10 -64.35 -34.37 78.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.37 82.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.543 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.6 mm -63.49 -45.09 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -59.19 -39.35 82.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -68.72 -38.65 80.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.673 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.78 -31.15 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' B' ' 689' ' ' PRO . 79.0 mt -72.67 -70.28 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.244 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.7 m 60.46 23.48 13.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.321 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 67.2 94.61 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 111.073 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.741 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 87.8 mt -108.66 167.16 10.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.224 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.4 p -78.18 167.47 21.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.57 65.24 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.67 -37.23 86.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.796 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.741 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 35.3 mt-10 -79.29 -28.3 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.89 -31.01 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.937 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.17 -21.23 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.289 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -77.79 -58.91 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.995 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -103.84 109.52 21.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.429 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 60.5 ttp180 -135.21 151.51 50.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.457 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.592 ' CD1' ' HB3' ' B' ' 689' ' ' PRO . 6.1 mp -73.96 112.99 10.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.59 0.233 . . . . 0.0 110.873 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' B' ' 656' ' ' ASN . 17.6 t70 -166.73 103.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' B' ' 655' ' ' ASP . 47.2 m-80 69.99 -0.32 2.79 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.819 0.699 . . . . 0.0 110.417 -171.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -20.15 59.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.053 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.672 ' HB2' ' HG3' ' B' ' 663' ' ' GLU . 73.9 mt -93.87 14.15 20.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.653 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . 109.32 132.92 6.61 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.446 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.1 -43.37 98.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.32 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 10.8 t -124.95 -0.33 7.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.144 0.497 . . . . 0.0 110.205 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 19.1 m -97.38 6.0 48.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.973 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' B' ' 658' ' ' LEU . 33.4 tt0 -73.98 -29.86 62.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.1 p -54.66 -47.1 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.769 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.439 ' HB ' HG23 ' B' ' 626' ' ' THR . 35.1 pt -68.63 -36.08 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.984 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -73.51 -44.8 56.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.043 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 16.5 ttm180 -61.05 -48.11 83.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.927 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.24 -43.07 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.411 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' B' ' 626' ' ' THR . . . -62.94 -44.04 97.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.196 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.88 -36.68 75.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 26.1 mt-30 -69.7 -24.26 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.714 0.292 . . . . 0.0 110.863 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -72.45 -12.54 61.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.644 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.411 HG21 ' HG3' ' B' ' 703' ' ' LYS . 39.9 pt -107.43 -23.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.082 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.408 ' HD1' HG12 ' A' ' 216' ' ' ILE . 22.7 m-85 -115.02 25.81 10.62 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.47 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -39.48 -46.21 1.66 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . 0.509 ' OD1' ' HG2' ' B' ' 677' ' ' LYS . 13.8 t70 -52.15 -47.95 65.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.513 ' HD3' HD23 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -118.98 34.08 5.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.111 -178.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -57.97 -51.87 67.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.76 -173.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.8 -45.94 48.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.117 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 677' ' ' LYS . 43.6 mm -65.02 -41.92 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.41 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 37.5 mm -60.81 -43.38 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.54 -36.54 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.605 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.24 -46.0 94.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.256 -0.497 . . . . 0.0 111.903 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.485 HD22 HG21 ' B' ' 696' ' ' VAL . 58.6 mt -59.78 -34.67 73.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.429 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 2.1 tpt180 -76.29 -12.71 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.837 -176.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -108.15 -53.3 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.466 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 43.1 t-20 -136.65 91.55 15.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.601 -178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.592 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 50.7 Cg_endo -70.45 -26.84 23.91 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.58 2.187 . . . . 0.0 112.35 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -29.2 70.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.504 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.455 ' O ' HG13 ' B' ' 695' ' ' ILE . 67.5 mt -94.6 -54.27 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.524 ' O ' HG23 ' B' ' 696' ' ' VAL . . . -64.72 -52.03 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.461 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 88.9 t -55.79 -49.86 90.42 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -169.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.2 Cg_endo -56.49 -38.97 94.34 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.444 1.429 . . . . 0.0 112.479 177.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 691' ' ' ILE . 13.4 mt -70.33 -53.13 24.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 110.602 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 692' ' ' ALA . 15.6 m -61.34 -35.2 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.252 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.0 tt -63.42 -43.02 98.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.982 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 61.3 mttp -56.09 -49.77 72.89 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -68.2 -30.87 70.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.052 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.486 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.6 tp -72.74 -36.45 67.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.243 0.544 . . . . 0.0 109.787 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' B' ' 701' ' ' LYS . 9.0 tptm -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.972 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.0 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.963 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.485 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 46.2 mmtt -69.04 -38.8 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.463 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.43 -46.25 83.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.12 -46.32 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.123 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.72 -50.54 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.729 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.501 ' O ' ' HB2' ' B' ' 711' ' ' GLN . 5.4 m0 -62.29 -32.68 73.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.727 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' B' ' 708' ' ' ARG . 7.2 mmt180 -66.53 -43.24 85.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.29 -29.61 65.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.444 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.42 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.22 0.534 . . . . 0.0 110.21 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.639 ' HG2' ' HG ' ' B' ' 624' ' ' LEU . 8.8 tp60 -62.56 -30.52 71.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.137 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.515 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.9 ttp180 -62.93 -31.58 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.497 176.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.19 -41.27 10.39 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.483 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -89.02 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.825 0.345 . . . . 0.0 111.869 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.48 ' HB2' ' NE2' ' B' ' 711' ' ' GLN . 27.4 t-20 -69.32 -49.59 54.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.847 -171.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 22.8 ttpt -59.37 -50.22 74.79 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.564 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.72 -43.59 84.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.613 0.244 . . . . 0.0 111.019 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . 0.421 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 85.9 t90 -58.27 -42.15 85.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.409 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 72.6 ttt180 -72.85 -36.36 67.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.694 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 6.1 mm-40 -55.19 -42.66 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.584 176.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 718' ' ' TRP . 4.0 pp0? -88.1 -12.73 43.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.025 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -80.57 -56.76 3.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.716 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 4.5 mm-40 -64.78 -42.76 94.83 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.759 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -108.53 176.78 5.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.099 -174.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -94.8 0.33 54.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.986 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 54.7 t80 60.5 94.12 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 O-C-N 123.946 0.779 . . . . 0.0 111.114 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.1 mt 67.06 -174.76 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.956 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -132.37 144.33 50.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.048 178.212 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.034 0.445 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -127.17 97.8 5.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.368 . . . . 0.0 110.059 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -108.97 125.48 52.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.931 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -144.09 143.11 30.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.95 118.01 20.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.442 . . . . 0.0 109.909 177.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.55 150.06 35.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.135 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . 0.431 ' C ' ' H ' ' A' ' 210' ' ' LEU . 10.7 t-20 -102.72 9.63 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.73 ' HD2' ' HE1' ' B' ' 707' ' ' TRP . 92.5 m-85 74.33 -30.41 0.2 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.139 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.434 HD22 ' O ' ' B' ' 672' ' ' ARG . 72.5 mt -73.36 -175.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 111.199 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.43 ' CD1' ' HB ' ' B' ' 673' ' ' ILE . 5.8 mp -113.74 172.73 6.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 30.7 p -79.85 150.07 30.77 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.54 -44.91 13.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.939 0.495 . . . . 0.0 111.335 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -52.53 -37.76 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.475 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -78.32 -39.43 39.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.224 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.402 HD12 ' HB2' ' A' ' 211' ' ' LEU . 2.2 mp -61.96 -48.58 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -33.46 75.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.6 -52.45 64.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.294 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -64.45 -38.75 92.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.143 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.98 -43.17 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.145 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.546 ' O ' ' HG3' ' A' ' 225' ' ' LYS . 69.0 mtp180 -67.2 -30.49 70.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.779 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 59.5 m -68.92 -31.36 70.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.387 0.137 . . . . 0.0 111.112 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.496 HD22 HG22 ' B' ' 691' ' ' ILE . 52.8 mt -62.81 -32.55 73.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.228 0.537 . . . . 0.0 109.555 173.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -39.82 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.805 177.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 221' ' ' ARG . 33.7 mtmm -64.61 -75.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.861 ' HG ' HG12 ' B' ' 691' ' ' ILE . 1.2 tm? 40.03 77.2 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.314 1.009 . . . . 0.0 111.081 -174.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -140.31 102.46 4.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.117 0.484 . . . . 0.0 110.318 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.507 178.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.709 0.29 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -76.26 -86.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . 0.47 ' HB3' HD13 ' B' ' 610' ' ' ILE . . . -164.99 176.21 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.85 -47.77 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -137.37 96.97 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.493 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . 0.47 HD13 ' HB3' ' B' ' 607' ' ' ALA . 3.6 mp -95.54 115.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.882 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.39 103.96 14.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.255 0.55 . . . . 0.0 111.515 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -117.44 -57.72 2.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 166.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 6.5 p -151.48 21.82 0.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.201 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -69.46 108.87 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.16 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 28.7 t0 57.87 93.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.699 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.405 ' OE1' ' HB3' ' B' ' 714' ' ' PHE . 37.1 tt0 -68.23 -38.75 82.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.6 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 617' ' ' ARG . 35.3 ttt180 -65.45 -37.18 86.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.033 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.65 -53.26 32.4 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.385 0.428 . . . . 0.0 110.555 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.29 -38.84 91.46 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.636 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.507 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.11 -39.36 82.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.876 0.369 . . . . 0.0 110.32 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.16 -47.81 80.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.387 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.79 -37.13 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.009 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.22 -41.45 77.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.752 0.31 . . . . 0.0 110.727 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.18 -48.58 81.14 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.515 HG23 ' HB3' ' B' ' 669' ' ' ALA . 19.5 m -61.52 -39.67 91.86 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.13 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.431 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -56.77 -61.36 2.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.93 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.37 -34.93 76.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.56 92.63 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.209 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.495 ' HA ' HG11 ' B' ' 633' ' ' VAL . 25.7 m -74.55 -31.28 62.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.054 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.482 HD13 ' HG ' ' B' ' 700' ' ' LEU . 29.9 mm -60.17 -51.75 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 0.0 110.099 173.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.86 -45.74 93.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.342 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.641 ' O ' HG12 ' B' ' 637' ' ' ILE . 10.8 p -65.24 -46.11 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.393 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.497 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 40.9 mt -65.19 -39.46 92.88 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.326 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' B' ' 639' ' ' LYS . 19.3 mm-40 -61.47 -42.76 99.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.512 175.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.78 97.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.155 0.502 . . . . 0.0 110.222 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.641 HG12 ' O ' ' B' ' 633' ' ' VAL . 44.6 mm -59.3 -48.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.949 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.27 -42.03 85.6 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.803 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . 0.699 ' HG2' ' O ' ' B' ' 635' ' ' GLU . 46.9 mmtm -60.34 -40.54 91.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.237 0.541 . . . . 0.0 110.576 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -81.49 -23.94 37.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.593 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 61.4 mt -71.48 -71.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.719 177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.6 m 57.29 40.06 28.05 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.52 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 72.1 -38.47 0.42 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.503 1.121 . . . . 0.0 112.63 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.618 HD23 ' HB3' ' B' ' 648' ' ' GLU . 75.4 mt 63.04 -177.19 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.64 0.733 . . . . 0.0 111.937 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.43 ' H ' ' HB2' ' B' ' 648' ' ' GLU . 7.2 m -109.49 177.79 4.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.331 172.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.5 63.94 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 120.787 0.327 . . . . 0.0 111.203 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.1 -40.4 81.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.281 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.618 ' HB3' HD23 ' B' ' 644' ' ' LEU . 43.4 mt-10 -73.72 -32.15 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -174.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -69.0 -31.53 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.457 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.17 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.232 174.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -64.23 -64.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.769 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -101.58 97.13 7.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.766 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -121.13 156.79 31.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.924 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.553 HD23 HG21 ' B' ' 637' ' ' ILE . 88.3 mt -77.6 29.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -170.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.44 -77.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.668 0.27 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -72.74 -29.12 63.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.081 0.467 . . . . 0.0 110.735 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 m -73.59 -27.68 61.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.236 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.0 tt -129.13 -66.17 0.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.653 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -89.69 52.59 3.67 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.379 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -114.47 -107.04 2.69 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.027 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 30.5 m -90.52 -34.36 15.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.217 0.532 . . . . 0.0 110.109 177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 39.9 m -84.98 14.47 4.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.188 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.05 -45.76 86.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.307 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -48.44 -46.02 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 O-C-N 123.811 0.695 . . . . 0.0 112.868 -170.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.52 -45.38 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.825 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . 0.421 ' CE1' HG12 ' B' ' 633' ' ' VAL . 35.9 m-70 -72.63 -43.48 63.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.268 0.556 . . . . 0.0 110.215 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 69.1 ttt180 -63.12 -40.0 96.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.396 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.49 -46.29 90.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.515 ' HB3' HG23 ' B' ' 626' ' ' THR . . . -60.3 -46.35 90.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.11 -28.62 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.143 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 84.8 mt-30 -75.53 -24.35 56.77 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.418 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.434 ' O ' HD22 ' A' ' 210' ' ' LEU . 40.2 ttt180 -89.76 14.63 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.067 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.43 ' HB ' ' CD1' ' A' ' 211' ' ' LEU . 11.2 pt -131.09 -41.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.582 170.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.48 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 80.1 m-85 -103.36 29.25 5.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.847 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.15 -51.75 0.25 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.05 -30.39 66.54 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -136.52 38.64 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.914 0.387 . . . . 0.0 111.961 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -68.05 -31.18 70.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.98 85.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.827 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -38.24 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.47 -43.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 47.0 mm -60.72 -41.09 87.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.15 0.5 . . . . 0.0 110.053 177.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.24 -47.55 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.493 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.66 -46.93 93.19 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.707 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.542 HD23 HG11 ' B' ' 696' ' ' VAL . 82.9 mt -56.93 -45.99 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -85.59 17.97 3.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -137.97 -41.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.262 . . . . 0.0 111.307 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.26 92.56 12.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 0.0 110.306 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.44 -35.04 18.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.088 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 50.6 m -66.96 -13.29 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.98 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.861 HG12 ' HG ' ' A' ' 226' ' ' LEU . 42.0 mt -102.94 -58.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.027 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -72.14 -39.68 68.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.621 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 69.2 t -55.69 -54.65 49.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 119.221 -0.419 . . . . 0.0 112.079 -176.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.59 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 73.3 Cg_exo -52.5 -46.15 35.11 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.203 1.935 . . . . 0.0 112.768 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.72 -55.02 19.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.194 0.521 . . . . 0.0 110.494 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.542 HG11 HD23 ' B' ' 685' ' ' LEU . 2.4 p -64.59 -34.17 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.742 -174.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 0.5 OUTLIER -70.2 -40.4 74.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.06 -40.03 87.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.429 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.48 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 34.1 mmt180 -64.12 -40.1 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.482 ' HG ' HD13 ' B' ' 631' ' ' ILE . 34.0 tp -69.48 -34.96 75.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.622 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.52 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 4.4 mptp? -69.43 -36.81 77.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.166 0.507 . . . . 0.0 110.334 175.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.77 -46.88 83.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.069 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.453 ' HZ3' ' CD ' ' B' ' 706' ' ' GLU . 2.6 mptp? -70.38 -25.73 63.38 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.459 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 27.1 tt0 -57.61 -48.53 79.15 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 31.7 mt-10 -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.216 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . 0.453 ' CD ' ' HZ3' ' B' ' 703' ' ' LYS . 34.3 tt0 -60.14 -51.84 67.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.385 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.73 ' HE1' ' HD2' ' A' ' 209' ' ' TYR . 9.9 m0 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.06 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' B' ' 712' ' ' ARG . 14.3 mmt180 -62.95 -41.84 99.64 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.052 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -71.41 -36.82 71.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 110.947 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.51 -50.2 70.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.048 0.451 . . . . 0.0 110.106 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.486 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 43.1 tt0 -64.7 -28.72 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.82 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.611 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 18.0 ttt180 -66.32 -47.77 72.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.331 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -73.4 -38.65 52.53 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.101 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . 0.405 ' HB3' ' OE1' ' B' ' 616' ' ' GLU . 31.1 m-85 -88.13 -64.96 1.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.798 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.486 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 34.9 t30 -74.7 -52.38 11.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.879 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 9.5 tmtt? -61.09 -45.94 92.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.575 HG22 ' O ' ' B' ' 712' ' ' ARG . 89.4 t -68.7 -34.64 65.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -56.93 -47.81 79.74 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 28.2 mtp-105 -64.56 -39.87 94.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.985 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.441 ' O ' ' HE3' ' B' ' 724' ' ' LYS . 64.8 mm-40 -51.89 -42.21 62.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.015 176.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 22.7 mm-40 -81.43 -38.05 27.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.294 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.64 -31.89 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -79.37 -3.24 45.36 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' B' ' 720' ' ' GLU . 16.7 ptpt -128.81 156.39 43.67 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -129.72 -174.92 3.44 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -89.48 17.06 6.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.866 -167.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 97.3 mt 63.89 94.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.142 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -146.77 144.62 29.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.192 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.564 179.059 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -104.06 77.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.041 0.448 . . . . 0.0 110.416 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -100.45 -38.16 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.26 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . 0.419 ' HB3' ' CZ ' ' B' ' 714' ' ' PHE . . . -76.7 84.83 3.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.409 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -105.05 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.124 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.505 HD23 ' HB2' ' B' ' 710' ' ' ALA . 71.4 mt -94.28 87.94 5.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.81 96.37 6.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.183 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.27 -40.39 11.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.554 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 40.4 mt -87.28 -169.12 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.227 -174.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.736 HD22 ' HD2' ' B' ' 703' ' ' LYS . 96.5 mt -134.58 144.5 47.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.5 m -61.97 148.4 43.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.07 -41.15 25.25 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.583 0.353 . . . . 0.0 111.707 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -60.11 -32.98 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.265 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.35 -47.15 68.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.852 HG22 ' HB3' ' B' ' 677' ' ' LYS . 4.6 mp -67.2 -39.81 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.347 0.594 . . . . 0.0 109.818 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 32.7 ttm -67.97 -33.69 75.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.256 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.73 -44.32 93.8 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.473 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 0.7 OUTLIER -57.21 -54.54 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.28 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.51 -41.92 70.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.594 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -65.01 -33.74 76.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 15.8 m -72.42 -44.78 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 68.6 mt -59.79 -26.96 66.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.025 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -87.17 -34.59 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.043 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -100.23 -38.57 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.001 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.96 86.0 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.552 ' HA ' ' CD1' ' B' ' 691' ' ' ILE . 15.5 pttp -114.32 172.6 6.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.529 -176.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.428 174.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.909 -0.034 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 51.32 93.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.26 0.624 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -75.08 -67.9 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.194 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -128.77 -52.77 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.375 0.607 . . . . 0.0 109.625 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -167.2 100.03 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.825 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.96 99.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.859 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -133.03 109.8 9.78 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.133 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -134.8 101.1 4.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.394 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 53.6 t -147.9 -54.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.113 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -72.57 -34.45 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.09 50.06 1.35 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.126 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 34.3 tt0 -81.59 -61.6 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.524 -173.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 -63.43 -31.8 73.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.131 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.186 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.408 ' O ' HG11 ' B' ' 623' ' ' VAL . 33.6 tt0 -69.04 -30.48 68.85 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.467 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 63.1 mt -60.75 -45.05 95.82 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.566 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.88 -45.59 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.1 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.8 -49.94 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.751 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.408 HG11 ' O ' ' B' ' 619' ' ' GLU . 15.0 p -66.63 -39.91 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 121.312 -0.155 . . . . 0.0 111.362 -175.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.07 -48.68 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.293 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -60.01 -47.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.529 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.514 HG22 ' HB1' ' B' ' 669' ' ' ALA . 50.2 m -61.66 -38.13 86.58 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.352 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.578 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.2 t-20 -61.31 -56.88 15.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.72 177.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.57 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 3.5 mm? -55.05 -38.71 68.36 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.313 0.383 . . . . 0.0 111.666 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.02 82.87 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.332 0.587 . . . . 0.0 110.659 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.477 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.4 m -69.85 -34.98 74.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.095 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.65 HD13 ' HB3' ' B' ' 700' ' ' LEU . 44.2 mm -51.29 -58.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.368 . . . . 0.0 110.443 170.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.57 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 19.5 mmt180 -59.09 -44.08 91.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.802 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.477 HG12 ' HA ' ' B' ' 630' ' ' THR . 11.1 p -64.36 -45.67 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.909 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.557 HD21 HD13 ' B' ' 637' ' ' ILE . 47.5 mt -73.74 -33.08 64.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -176.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.514 ' HG2' HD23 ' B' ' 697' ' ' LEU . 64.2 mt-10 -64.85 -40.75 95.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 109.843 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.33 83.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.557 HD13 HD21 ' B' ' 634' ' ' LEU . 96.7 mt -59.52 -48.64 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.125 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.17 -41.52 88.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.538 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . 0.439 ' HB3' ' HE3' ' B' ' 639' ' ' LYS . 25.3 ttpp -59.23 -45.04 92.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.62 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -70.22 -43.74 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 93.9 mt -62.87 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.327 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 34.0 m 56.43 25.32 9.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.172 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 34.7 mtt85 64.21 79.17 0.26 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.188 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.77 176.99 5.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.115 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.496 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 27.5 t -62.97 153.99 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.74 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.79 -39.56 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.61 -28.81 59.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.53 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 77.7 mt-30 -63.98 -34.29 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.681 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -82.53 -24.73 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.16 -61.04 1.99 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -96.25 104.34 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.629 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 39.3 ttp180 -123.41 154.08 39.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.155 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -84.5 31.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -169.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' B' ' 653' ' ' ARG . 9.9 m-20 -61.93 -55.97 24.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -87.08 -1.97 58.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.4 m -93.25 -42.42 9.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 87.2 mt -97.06 -22.31 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.761 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.563 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -127.45 159.56 21.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.344 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 97.72 -34.73 4.97 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.126 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 61.6 m -149.71 124.33 9.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 8.5 t 66.04 19.88 11.22 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 109.958 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.563 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 0.0 OUTLIER -65.67 -38.34 89.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.204 -178.512 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.69 -36.55 66.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 CA-C-O 121.098 0.475 . . . . 0.0 110.625 177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.469 HG21 HG21 ' B' ' 626' ' ' THR . 10.7 mm -71.83 -53.01 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.521 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -63.9 -36.28 83.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -71.85 -43.64 65.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.871 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -60.82 -43.93 97.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 110.774 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.514 ' HB1' HG22 ' B' ' 626' ' ' THR . . . -64.34 -46.49 83.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.479 HD22 HD12 ' B' ' 673' ' ' ILE . 0.6 OUTLIER -61.45 -39.48 90.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.195 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.581 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 45.0 mt-30 -72.45 -23.41 61.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.926 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.554 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 38.0 mtt180 -81.34 -29.61 34.08 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.518 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.59 HG13 ' CD2' ' B' ' 674' ' ' TYR . 21.2 pt -90.57 -39.49 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.671 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.59 ' CD2' HG13 ' B' ' 673' ' ' ILE . 96.6 m-85 -108.65 31.39 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.159 -0.338 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -32.12 -61.6 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -169.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.51 -1.91 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -171.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.852 ' HB3' HG22 ' A' ' 216' ' ' ILE . 49.9 tptt -153.31 29.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.601 0.715 . . . . 0.0 110.286 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.115 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.34 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.469 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . 0.462 ' HB2' ' HE3' ' B' ' 677' ' ' LYS . 12.1 t70 -68.71 -46.01 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.409 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.3 mm -68.23 -41.62 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.703 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.61 -39.93 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.365 0.602 . . . . 0.0 110.097 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . 0.689 ' OD2' ' HE2' ' B' ' 687' ' ' LYS . 20.3 t70 -71.85 -44.29 64.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.49 -39.09 96.84 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.919 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.467 HD21 HG23 ' B' ' 696' ' ' VAL . 83.9 mt -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.168 0.508 . . . . 0.0 110.854 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.629 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 83.0 mtp180 -92.41 11.66 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.032 -177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.689 ' HE2' ' OD2' ' B' ' 683' ' ' ASP . 48.0 mttm -117.13 -55.42 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.491 174.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -129.42 85.73 58.19 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 37.2 Cg_endo -66.0 -35.43 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.578 2.185 . . . . 0.0 112.79 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.0 m -67.94 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.977 0.417 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 227' ' ' LYS . 73.8 mt -97.97 -62.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.798 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.481 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.24 -44.1 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.515 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 72.2 t -55.51 -49.35 93.1 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.515 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.0 Cg_exo -57.54 -34.37 97.94 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.621 1.547 . . . . 0.0 112.762 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.406 ' O ' ' HD3' ' B' ' 699' ' ' ARG . 49.8 mt -74.4 -48.01 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.57 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.1 m -65.74 -33.33 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.514 HD23 ' HG2' ' B' ' 635' ' ' GLU . 3.1 tm? -59.84 -42.87 94.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.93 -42.78 98.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.447 ' HG2' ' OH ' ' B' ' 674' ' ' TYR . 1.6 mpt_? -62.72 -48.57 78.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.854 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' B' ' 631' ' ' ILE . 2.9 mm? -59.0 -42.43 90.05 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.8 OUTLIER -64.11 -49.82 70.72 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -65.79 -35.72 81.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 110.862 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.736 ' HD2' HD22 ' A' ' 211' ' ' LEU . 28.9 mtpp -86.72 -17.62 33.2 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.96 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 25.9 tt0 -59.38 -49.48 77.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.79 -36.17 79.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.898 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' B' ' 703' ' ' LYS . 3.7 tp10 -58.06 -53.05 62.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -69.69 -31.86 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -60.38 -41.69 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.12 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.99 -44.22 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.464 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . 0.505 ' HB2' HD23 ' A' ' 207' ' ' LEU . . . -62.62 -45.36 93.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.189 177.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.18 -40.54 96.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.352 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.603 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 13.6 ttp180 -72.89 -26.14 61.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -75.89 -42.65 24.77 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.236 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 205' ' ' ALA . 88.7 m-85 -89.78 -64.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.933 0.396 . . . . 0.0 112.045 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.52 -41.9 65.36 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -169.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.603 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.6 OUTLIER -63.74 -45.31 90.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.465 ' O ' ' HG2' ' B' ' 721' ' ' GLN . 80.7 t -65.74 -35.71 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -57.21 -45.48 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.545 ' HG3' ' HG3' ' B' ' 723' ' ' GLU . 31.8 ttt180 -62.86 -38.3 90.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.259 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 7.6 mm-40 -64.39 -28.27 69.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 72.6 mm-40 -90.1 -47.52 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -80.23 -54.96 5.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.459 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.545 ' HG3' ' HG3' ' B' ' 719' ' ' ARG . 10.0 mm-40 -75.41 -55.53 5.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.458 -175.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt 56.7 -163.83 0.16 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.6 -177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -124.16 114.85 20.2 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 171.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.46 109.8 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.53 125.73 27.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.357 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.36 -57.13 5.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.446 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.295 176.432 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 17.0 m120 70.78 -68.62 0.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.795 0.684 . . . . 0.0 111.802 175.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 101.76 7.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.044 0.45 . . . . 0.0 111.101 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -113.32 127.33 56.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.933 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -82.26 104.07 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' B' ' 710' ' ' ALA . 2.4 pp -112.38 177.73 4.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.762 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -152.3 175.72 12.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.588 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -120.09 -41.25 2.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.416 HD23 ' O ' ' B' ' 672' ' ' ARG . 67.0 mt -80.41 -173.4 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.645 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.411 HD23 HG12 ' A' ' 216' ' ' ILE . 21.4 tp -129.65 150.49 50.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 151.63 29.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -41.62 62.9 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.014 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -49.42 -56.27 10.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.822 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.24 -41.03 67.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.952 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.411 HG12 HD23 ' A' ' 211' ' ' LEU . 75.0 mt -57.33 -52.65 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 110.977 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.571 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 9.6 tpp -68.98 -32.25 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.693 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.19 -52.64 64.71 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.246 0.546 . . . . 0.0 109.885 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.526 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 80.6 m-20 -61.25 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.02 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 4.8 mp -57.27 -44.82 84.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 217' ' ' MET . 69.3 mtm180 -62.17 -38.62 89.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 110.388 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' THR . . . . . 0.637 ' O ' ' HA ' ' A' ' 226' ' ' LEU . 28.1 m -71.59 -19.99 62.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.591 HD21 HD12 ' B' ' 695' ' ' ILE . 92.6 mt -78.5 -35.01 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 0.0 110.193 173.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -80.17 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.05 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -101.85 -6.15 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.639 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.637 ' HA ' ' O ' ' A' ' 222' ' ' THR . 1.0 OUTLIER 54.77 73.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.618 0.574 . . . . 0.0 111.487 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.493 ' H ' ' HA ' ' A' ' 222' ' ' THR . 9.3 tmtm? 66.76 123.52 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.847 0.832 . . . . 0.0 112.265 173.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.996 174.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.737 0.303 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -93.91 145.62 24.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -72.67 -17.2 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.156 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -102.12 145.49 29.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -78.61 42.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.943 0.401 . . . . 0.0 111.419 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 63.2 mt -79.49 98.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 110.019 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.54 128.91 35.57 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 612' ' ' ARG . 40.2 mtp85 -87.58 -49.75 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.152 -171.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 60.7 m -94.86 80.89 3.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.97 0.414 . . . . 0.0 110.479 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -78.67 88.06 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.318 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 52.56 30.32 8.37 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.659 0.599 . . . . 0.0 111.581 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' B' ' 619' ' ' GLU . 45.1 tt0 -70.25 -41.92 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.372 0.606 . . . . 0.0 110.117 -175.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.501 ' HE ' ' HA ' ' B' ' 715' ' ' ASN . 58.6 ttt-85 -65.23 -39.62 92.97 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.096 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . 0.417 ' O ' HG22 ' B' ' 622' ' ' VAL . 81.0 t80 -62.39 -40.81 97.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.731 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' B' ' 616' ' ' GLU . 8.5 tp10 -55.03 -41.97 72.05 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.458 175.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.511 ' O ' HD21 ' B' ' 624' ' ' LEU . 80.8 mt -66.01 -41.39 91.07 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 120.878 0.37 . . . . 0.0 110.748 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.51 -43.55 93.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.304 0.573 . . . . 0.0 110.253 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 618' ' ' PHE . 69.1 t -63.71 -50.62 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.455 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.502 ' HB ' HH11 ' B' ' 672' ' ' ARG . 9.9 p -61.87 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.889 -177.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.568 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 2.1 mm? -60.17 -53.07 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.057 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.7 -44.31 86.52 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.4 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.502 HG22 ' HB3' ' B' ' 669' ' ' ALA . 22.4 m -60.13 -41.75 93.35 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.308 0.575 . . . . 0.0 110.455 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.619 ' O ' HG12 ' B' ' 631' ' ' ILE . 8.1 t30 -65.43 -47.38 76.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.114 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -58.89 -39.07 80.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.7 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.66 92.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.298 0.571 . . . . 0.0 110.044 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 48.2 m -65.96 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.008 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.625 ' CD1' ' HB3' ' B' ' 700' ' ' LEU . 42.1 mm -54.72 -60.63 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 110.633 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' ' 632' ' ' ARG . 22.6 mtm180 -58.77 -42.99 90.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.86 -173.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.658 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.1 p -67.18 -43.62 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.956 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 22.4 mt -72.12 -29.66 64.29 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.466 ' HG2' HD22 ' B' ' 697' ' ' LEU . 81.0 mt-10 -65.61 -38.1 88.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.81 87.48 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.626 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.658 HG12 ' O ' ' B' ' 633' ' ' VAL . 46.9 mm -60.52 -50.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.867 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.15 -27.81 66.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 635' ' ' GLU . 79.0 tttt -61.99 -36.16 80.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.704 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -79.87 -49.44 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.044 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.0 -21.64 63.75 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.633 -175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 9.8 p -9.93 76.26 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.85 1.66 . . . . 0.0 115.352 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' B' ' 643' ' ' ARG . 14.5 mtm180 55.33 31.97 17.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.603 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.428 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.5 mt -64.51 151.45 44.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.722 0.296 . . . . 0.0 110.733 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.467 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 44.5 t -66.46 157.13 32.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.9 62.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.039 0.447 . . . . 0.0 110.763 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -61.53 -41.97 98.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.489 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.0 mt-10 -79.92 -21.68 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.16 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.624 ' HB3' ' HG2' ' B' ' 689' ' ' PRO . 75.7 mt-30 -71.65 -27.33 63.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.292 0.568 . . . . 0.0 109.787 175.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.22 -25.8 47.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.947 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.77 -59.22 2.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.944 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -104.92 99.82 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.543 ' HD2' ' OD1' ' B' ' 655' ' ' ASP . 7.7 ttm180 -131.69 165.15 24.37 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.509 HD12 HG23 ' B' ' 637' ' ' ILE . 3.2 mm? -71.44 0.39 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . 0.543 ' OD1' ' HD2' ' B' ' 653' ' ' ARG . 1.1 m-20 -55.61 -54.73 40.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.914 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -99.76 -7.42 25.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 10.2 m -95.85 -46.31 6.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.534 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 2.1 tt -97.04 73.44 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.564 0.697 . . . . 0.0 109.339 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.882 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . 175.08 162.07 25.83 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.053 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 92.59 62.53 1.14 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.625 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 26.0 m 78.69 -25.28 0.19 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.058 0.543 . . . . 0.0 111.768 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 3.4 m -93.62 -0.03 56.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.198 -0.314 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.882 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 0.0 OUTLIER -85.65 -37.69 19.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.26 -45.62 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 15.4 pt -66.23 -34.71 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -81.91 -36.7 27.82 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.889 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 9.1 tpt180 -61.02 -47.01 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -59.94 -53.35 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.019 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.502 ' HB3' HG22 ' B' ' 626' ' ' THR . . . -60.1 -41.97 93.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.481 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.92 -35.21 69.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.499 ' HG2' ' CB ' ' B' ' 678' ' ' ALA . 27.7 mt-30 -71.36 -23.57 61.93 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.189 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.502 HH11 ' HB ' ' B' ' 623' ' ' VAL . 21.5 ttm180 -63.53 -35.25 79.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.17 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 26.7 pt -98.17 -43.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.81 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -98.4 31.41 2.83 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.305 -0.247 . . . . 0.0 110.865 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -38.43 -49.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.24 -11.07 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.521 ' HD2' ' HB2' ' B' ' 680' ' ' ASP . 17.2 mmtp -142.77 31.12 1.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.196 -0.315 . . . . 0.0 111.697 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . 0.499 ' CB ' ' HG2' ' B' ' 671' ' ' GLN . . . -61.71 -38.28 87.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.25 69.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.143 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . 0.521 ' HB2' ' HD2' ' B' ' 677' ' ' LYS . 7.8 t70 -80.91 -37.53 29.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.414 HG12 ' O ' ' B' ' 677' ' ' LYS . 42.2 mm -69.77 -47.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.214 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.56 -39.38 75.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 109.977 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.13 -46.69 89.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.074 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . 0.419 ' HA2' ' HE2' ' B' ' 687' ' ' LYS . . . -62.39 -41.69 99.75 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.74 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.47 -39.02 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.97 0.414 . . . . 0.0 111.261 178.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -95.91 17.33 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.011 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.419 ' HE2' ' HA2' ' B' ' 684' ' ' GLY . 34.0 ttpt -128.22 -53.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . 0.417 ' HB3' HD11 ' B' ' 691' ' ' ILE . 19.1 m120 -125.6 79.22 67.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.938 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.624 ' HG2' ' HB3' ' B' ' 649' ' ' GLN . 34.0 Cg_exo -57.29 -48.44 17.72 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.079 2.519 . . . . 0.0 112.758 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 690' ' ' SER . . . . . 0.536 ' HG ' ' NE2' ' B' ' 649' ' ' GLN . 42.2 m -72.88 1.77 8.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.417 HD11 ' HB3' ' B' ' 688' ' ' ASN . 58.3 mt -112.43 -58.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.546 ' O ' HG21 ' B' ' 696' ' ' VAL . . . -68.53 -47.69 66.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -173.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.523 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 97.9 t -57.01 -48.84 96.78 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.523 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.3 Cg_exo -54.54 -41.56 76.13 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 121.704 1.603 . . . . 0.0 112.328 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.591 HD12 HD21 ' A' ' 223' ' ' LEU . 76.9 mt -67.67 -54.69 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.114 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.546 HG21 ' O ' ' B' ' 692' ' ' ALA . 11.1 m -60.01 -34.83 57.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.466 HD22 ' HG2' ' B' ' 635' ' ' GLU . 2.0 tm? -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.41 -50.06 74.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -60.91 -37.49 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 -178.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.625 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 41.1 mt -68.74 -39.37 80.36 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.308 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.433 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.7 OUTLIER -60.98 -44.55 97.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.33 0.586 . . . . 0.0 110.022 174.705 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 9.3 ttt -53.16 -52.88 57.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.323 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -29.13 59.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -177.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -55.36 -55.98 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.102 0.477 . . . . 0.0 110.299 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.2 mt-10 -70.55 -35.96 73.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.709 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.52 -51.67 68.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.0 110.009 175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.568 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 6.0 m0 -68.24 -29.3 68.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.17 -43.41 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.86 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 47.9 mm-40 -62.06 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . 0.6 ' HB2' HD23 ' A' ' 207' ' ' LEU . . . -65.15 -51.42 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.296 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.504 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 15.5 tt0 -63.56 -34.81 78.62 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.651 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.679 ' HG3' ' HD3' ' B' ' 716' ' ' LYS . 46.5 ttm105 -63.06 -50.24 71.4 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.185 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -62.73 -46.28 94.0 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.201 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.4 -66.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.483 -0.422 . . . . 0.0 112.055 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 711' ' ' GLN . 3.5 m-20 -67.86 -55.2 13.79 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.006 -171.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.679 ' HD3' ' HG3' ' B' ' 712' ' ' ARG . 64.4 tttp -62.43 -57.8 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 712' ' ' ARG . 40.8 t -53.58 -43.34 53.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 O-C-N 123.402 0.439 . . . . 0.0 111.84 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -57.52 -47.14 82.76 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.277 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.506 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 79.1 ttt180 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.661 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 5.4 mm-40 -58.55 -34.78 71.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.196 0.522 . . . . 0.0 110.04 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -83.73 -20.74 32.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.048 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.18 -34.38 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.555 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 67.2 mm-40 -53.39 -36.34 61.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . 0.425 ' C ' ' H ' ' B' ' 726' ' ' TYR . 21.1 ptmt -132.32 -167.06 1.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 35.3 t80 73.19 -30.54 0.21 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . 0.425 ' H ' ' C ' ' B' ' 724' ' ' LYS . 75.0 m-85 74.18 147.42 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.601 0.76 . . . . 0.0 111.497 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.6 mt -86.52 113.65 22.61 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . 0.484 ' H ' ' HD3' ' B' ' 728' ' ' LYS . 0.0 OUTLIER -92.54 -1.76 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -177.49 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.558 -179.367 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.815 0.341 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -142.23 146.61 35.37 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -84.74 103.93 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.422 . . . . 0.0 110.331 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . 0.515 ' CB ' ' HA ' ' B' ' 710' ' ' ALA . . . -108.79 145.77 34.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.899 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -110.89 118.73 36.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.077 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 98.2 mt -84.52 83.42 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.19 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -87.33 -36.63 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 70.72 -62.46 0.44 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.464 0.706 . . . . 0.0 111.144 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.6 tp -84.54 161.22 20.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.728 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.555 ' HG ' HD12 ' A' ' 216' ' ' ILE . 0.4 OUTLIER -111.29 162.29 15.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -54.98 129.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.388 0.43 . . . . 0.0 111.777 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -53.56 -25.17 16.0 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.449 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.4 -40.32 82.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.8 -39.15 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.555 HD12 ' HG ' ' A' ' 211' ' ' LEU . 2.1 mp -57.4 -44.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.021 0.438 . . . . 0.0 109.866 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 67.3 mtt -61.7 -42.48 98.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -35.14 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.482 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 98.6 m-20 -63.83 -47.26 81.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.413 ' HA ' HD13 ' A' ' 223' ' ' LEU . 10.0 mp -58.63 -41.29 85.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 221' ' ' ARG . 4.2 mmp_? -61.72 -46.59 89.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.442 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' THR . . . . . 0.59 ' HA ' ' HE3' ' A' ' 225' ' ' LYS . 86.8 m -61.05 -37.5 82.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.295 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -55.66 -36.66 67.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.274 0.559 . . . . 0.0 110.411 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 224' ' ' ASN . 0.9 OUTLIER -84.26 -33.4 24.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.845 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.59 ' HE3' ' HA ' ' A' ' 222' ' ' THR . 57.0 mtmt -67.73 -19.16 65.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.654 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.57 -17.97 46.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.992 175.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -82.18 93.71 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.684 -176.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -138.69 127.5 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 67.1 -176.31 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.934 0.772 . . . . 0.0 110.8 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.05 -32.57 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -99.3 84.54 3.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 51.7 mt -82.68 90.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.412 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -104.67 101.47 11.1 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . 0.667 ' HB3' ' HB2' ' B' ' 616' ' ' GLU . 42.5 mtt180 -119.44 122.67 42.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.805 0.812 . . . . 0.0 111.986 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 77.3 m -144.18 -31.91 0.44 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.762 172.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.76 -37.83 29.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.605 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' B' ' 619' ' ' GLU . 60.5 m-20 -108.65 7.54 26.59 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.704 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' B' ' 612' ' ' ARG . 25.7 tt0 -82.16 -52.09 7.33 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.166 -172.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -63.66 -52.16 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.61 -36.68 76.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.248 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.521 ' O ' HG12 ' B' ' 623' ' ' VAL . 9.3 tp10 -57.89 -46.8 84.37 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.023 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.537 ' O ' HD21 ' B' ' 624' ' ' LEU . 2.6 mm? -62.22 -51.96 65.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.39 -172.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.05 -44.46 96.64 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.271 0.558 . . . . 0.0 110.446 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.14 -46.39 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.9 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.521 HG12 ' O ' ' B' ' 619' ' ' GLU . 14.8 p -62.33 -38.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.753 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -61.5 -46.54 89.56 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.306 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.06 -42.99 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.004 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 665' ' ' ILE . 35.2 m -60.6 -45.97 92.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.249 0.547 . . . . 0.0 110.422 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.534 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.35 -51.21 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.201 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.9 tt -64.56 -32.32 73.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.969 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.436 0.636 . . . . 0.0 109.847 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.525 HG21 HD21 ' B' ' 634' ' ' LEU . 24.6 m -67.57 -34.48 77.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.092 175.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.534 HG12 ' O ' ' B' ' 627' ' ' ASN . 47.0 mm -58.84 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 173.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.494 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 57.0 mtp180 -52.73 -56.69 13.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.587 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.1 p -65.82 -41.61 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.809 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.0 mm? -62.8 -46.36 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.359 -0.213 . . . . 0.0 111.508 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.92 -37.69 83.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.387 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.0 77.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.491 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.587 HG12 ' O ' ' B' ' 633' ' ' VAL . 33.3 mm -60.79 -50.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.038 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.4 -35.64 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.45 . . . . 0.0 110.791 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -72.44 -33.69 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.744 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -73.62 -44.19 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 96.4 mt -58.01 -35.88 71.89 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.908 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.6 p 43.62 32.59 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 61.24 33.91 18.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.116 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.7 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.9 mt -57.05 161.64 2.95 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.408 172.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 38.4 p -78.07 173.29 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.181 -0.207 . . . . 0.0 110.767 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.12 70.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' B' ' 647' ' ' GLU . 1.7 mp0 -60.48 -40.5 91.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.964 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.7 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 42.5 mt-10 -79.39 -28.26 41.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.159 -176.516 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.518 ' OE1' HD22 ' B' ' 641' ' ' LEU . 80.3 mm-40 -72.45 -24.7 61.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.223 0.535 . . . . 0.0 110.306 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.25 22.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.72 -57.3 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.244 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -103.42 100.47 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.543 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 15.8 ttp180 -126.44 149.61 49.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.702 -174.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.99 102.24 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.669 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -129.22 -64.18 0.91 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -100.6 -6.43 25.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.156 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -36.28 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.953 -175.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.9 mp -91.89 -8.66 45.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 110.911 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -95.0 -174.44 37.81 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.972 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 90.35 115.39 1.71 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.309 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 69.5 p 52.5 -82.25 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.618 1.167 . . . . 0.0 113.804 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 662' ' ' SER . . . . . 0.611 ' HB3' HD12 ' B' ' 665' ' ' ILE . 22.1 m -78.28 43.44 0.45 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.867 0.467 . . . . 0.0 111.768 -175.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -72.33 -50.69 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.59 -43.6 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.301 -175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' B' ' 662' ' ' SER . 46.9 pt -66.72 -34.02 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.183 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -69.7 -47.18 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.373 0.606 . . . . 0.0 109.719 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.21 -44.03 85.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -62.18 -40.93 97.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.256 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.49 ' HB2' HG23 ' B' ' 626' ' ' THR . . . -63.28 -43.1 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.13 -44.32 92.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.914 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -66.54 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.78 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -76.04 -30.35 58.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.679 0.276 . . . . 0.0 111.086 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.462 HG13 ' CD2' ' B' ' 674' ' ' TYR . 47.8 pt -96.13 -20.28 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.281 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.462 ' CD1' HG13 ' B' ' 681' ' ' ILE . 53.9 m-85 -122.34 38.73 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -41.91 -35.58 0.88 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.66 -45.73 13.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -121.55 38.06 4.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.804 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -59.8 -45.7 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.4 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.3 71.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.625 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.34 -36.77 63.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.093 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.462 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.7 mm -76.8 -40.11 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.575 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 36.7 mm -56.39 -46.4 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 110.004 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.76 -37.49 76.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.72 -40.12 96.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.592 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.606 HD21 HG13 ' B' ' 696' ' ' VAL . 96.4 mt -62.29 -40.7 97.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.086 0.469 . . . . 0.0 110.494 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.543 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 55.6 mtp180 -84.32 -2.67 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.432 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -93.69 -62.92 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.5 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -138.81 92.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.498 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.473 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 30.4 Cg_endo -64.0 -26.0 66.41 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.846 2.364 . . . . 0.0 112.538 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 10.8 p -73.15 -11.92 60.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 0.0 111.285 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 66.6 mt -108.54 -59.42 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.161 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.68 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.515 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 72.3 t -56.49 -53.85 59.7 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -174.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 10.5 Cg_endo -55.84 -44.38 48.07 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.817 1.678 . . . . 0.0 112.453 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.06 -53.97 34.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.161 0.505 . . . . 0.0 110.861 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.606 HG13 HD21 ' B' ' 685' ' ' LEU . 2.0 p -64.57 -34.29 68.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.624 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.809 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 0.5 OUTLIER -64.06 -44.14 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.757 177.377 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 64.0 mttp -58.19 -44.0 87.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.711 0.291 . . . . 0.0 110.767 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.407 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 33.1 mmt180 -61.0 -40.45 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 56.9 mt -63.96 -45.62 88.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.374 177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 14.0 mmmm -65.97 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.974 0.416 . . . . 0.0 110.587 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.12 -45.41 92.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.3 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.478 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 58.5 mmtt -72.23 -32.81 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.525 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.33 -42.84 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.84 -49.56 76.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.051 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.69 -50.29 73.68 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.134 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.546 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 7.5 m0 -66.98 -31.58 72.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -176.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -65.3 -44.34 88.21 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.624 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.1 -39.86 79.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.408 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . 0.515 ' HA ' ' CB ' ' A' ' 205' ' ' ALA . . . -72.51 -47.55 47.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.209 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.88 -40.28 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.552 ' O ' HG22 ' B' ' 717' ' ' VAL . 39.8 ttp-105 -60.53 -53.21 60.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.478 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.76 -46.53 94.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.975 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -88.54 -64.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 0.9 OUTLIER -74.29 -52.1 13.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -169.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.585 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 50.0 tptt -57.5 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.611 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.552 HG22 ' O ' ' B' ' 712' ' ' ARG . 62.0 t -64.69 -36.53 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -59.44 -49.3 78.31 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.452 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 76.0 mtm180 -61.42 -42.52 98.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.71 -178.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 17.1 mm-40 -53.92 -46.6 71.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 176.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.426 HE21 HG11 ' B' ' 717' ' ' VAL . 49.4 mt-30 -73.69 -36.7 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.602 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -71.09 -44.85 64.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.79 -17.41 64.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -101.18 4.81 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.314 0.578 . . . . 0.0 110.615 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -121.11 -35.03 3.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.469 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -70.08 103.28 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.159 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 94.9 mt -98.64 153.24 18.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.502 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -70.54 -34.33 72.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.345 0.593 . . . . 0.0 109.812 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.472 177.344 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' SER . . . . . 0.4 ' HB3' ' OE1' ' B' ' 614' ' ' GLU . 9.2 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.58 0.228 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.93 -36.98 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.647 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.14 -60.17 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.629 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -137.29 157.47 46.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 111.171 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -86.78 141.87 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.676 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.06 109.2 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.393 0.616 . . . . 0.0 110.972 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -79.49 116.74 19.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.777 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.471 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 24.0 m-85 -74.28 -45.55 46.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.532 HD12 ' O ' ' B' ' 672' ' ' ARG . 3.8 mm? -74.56 166.85 22.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.185 -176.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 53.1 mt -91.9 160.56 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 167.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 20.4 p -69.09 131.42 44.97 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 217' ' ' MET . 13.5 t70 -55.86 -33.89 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.755 -175.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.75 -47.68 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.112 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -75.59 -26.19 57.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.529 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.32 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.243 0.544 . . . . 0.0 109.743 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.564 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 73.4 mtp -66.43 -37.39 85.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.077 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -54.87 -49.05 72.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 5.7 t70 -59.74 -52.04 67.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.3 -43.65 75.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.628 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 217' ' ' MET . 36.0 mmt180 -64.29 -41.52 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.428 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -33.26 73.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.23 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 90.6 mt -62.52 -34.02 76.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.489 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -89.64 -36.33 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.329 0.585 . . . . 0.0 110.226 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -64.39 -57.46 9.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.473 HD22 HD13 ' B' ' 691' ' ' ILE . 58.0 tp 50.51 76.88 0.13 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.365 0.602 . . . . 0.0 110.133 -170.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -88.68 142.27 27.82 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.64 176.635 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.005 0.431 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -86.08 104.24 15.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.149 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -103.56 -21.74 13.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 0.0 110.908 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -135.34 157.07 47.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 66.28 35.01 6.13 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 66.5 mt -83.29 115.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.277 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -80.47 78.38 7.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.435 0.636 . . . . 0.0 110.311 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.715 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 73.1 m -104.35 137.26 42.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.52 174.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.4 ' OE1' ' HB3' ' A' ' 202' ' ' SER . 38.3 mt-10 -68.91 -22.34 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.221 0.534 . . . . 0.0 109.66 174.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 66.14 14.3 9.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.551 -178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.28 -19.92 65.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 171.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.536 ' HA ' HD11 ' B' ' 620' ' ' LEU . 31.9 ttm105 -58.67 -26.19 63.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.647 174.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -65.78 -43.42 88.85 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.36 -33.24 75.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.752 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' B' ' 617' ' ' ARG . 89.7 mt -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 178.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.26 0.552 . . . . 0.0 109.596 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.66 -47.66 92.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.607 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' B' ' 620' ' ' LEU . 9.0 p -66.83 -33.89 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.009 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.476 HD22 ' O ' ' B' ' 620' ' ' LEU . 2.5 mm? -65.7 -39.1 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.114 175.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.43 -49.58 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.152 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.517 HG21 ' HB2' ' B' ' 669' ' ' ALA . 29.3 m -55.13 -43.52 74.21 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.594 0.711 . . . . 0.0 110.125 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.462 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.79 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.625 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.431 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.7 mm? -56.49 -40.79 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.48 85.56 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.365 0.602 . . . . 0.0 110.683 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.507 ' HA ' HG12 ' B' ' 633' ' ' VAL . 33.3 m -72.29 -31.65 65.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.853 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.468 HD11 ' HG ' ' B' ' 700' ' ' LEU . 20.0 mm -57.04 -50.84 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.913 172.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 78.8 mtp180 -56.79 -52.34 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.602 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' B' ' 630' ' ' THR . 13.7 p -65.32 -43.04 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.686 -175.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.558 HD22 HD12 ' B' ' 637' ' ' ILE . 30.2 mt -68.41 -36.74 79.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.364 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.54 -40.03 95.96 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.308 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.44 98.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.071 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.591 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 81.3 mt -63.35 -53.6 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.817 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . 0.466 ' HG2' HG12 ' B' ' 693' ' ' VAL . 0.0 OUTLIER -56.23 -43.46 78.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -176.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -77.09 -24.72 51.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.388 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -75.46 -34.27 60.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.205 0.526 . . . . 0.0 109.864 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.8 mt -67.69 -62.82 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 40.5 m 55.18 39.13 31.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.86 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 643' ' ' ARG . 32.3 mtm180 68.77 85.94 0.14 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.448 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.471 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 54.5 mt -94.57 151.7 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.764 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 3.8 m -72.16 159.07 34.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . 0.603 ' HA ' HE21 ' B' ' 649' ' ' GLN . . . -57.13 -37.4 71.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.16 -41.99 97.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.227 0.536 . . . . 0.0 110.054 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 45.5 mt-10 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.603 HE21 ' HA ' ' B' ' 646' ' ' ALA . 47.7 mt-30 -67.39 -27.24 66.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.511 . . . . 0.0 110.386 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.0 57.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 36.7 ttpt -63.9 -60.94 2.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.952 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -107.21 103.63 13.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.986 0.422 . . . . 0.0 109.875 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -123.04 148.16 45.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.656 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.495 HD13 HG21 ' B' ' 637' ' ' ILE . 2.5 mm? -76.68 95.9 4.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.855 0.36 . . . . 0.0 111.569 -173.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.49 -38.94 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.27 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -105.6 -17.03 14.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.122 0.487 . . . . 0.0 111.372 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' THR . . . . . 0.406 ' HB ' HD12 ' B' ' 654' ' ' LEU . 1.2 m -67.53 -26.38 66.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.049 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 10.2 mp -91.68 1.46 57.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.02 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.568 ' HA2' ' HG2' ' B' ' 663' ' ' GLU . . . -93.92 -131.79 6.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.22 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 94.07 -67.41 1.5 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.684 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 25.6 m -158.46 -51.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.22 0.533 . . . . 0.0 110.544 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 662' ' ' SER . . . . . 0.688 ' HB2' ' HB ' ' B' ' 665' ' ' ILE . 4.0 p -88.8 47.45 1.5 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.541 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.568 ' HG2' ' HA2' ' B' ' 659' ' ' GLY . 42.6 mt-10 -60.07 -48.34 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.12 -36.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.145 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.688 ' HB ' ' HB2' ' B' ' 662' ' ' SER . 67.5 mt -70.25 -44.58 77.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.083 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -69.23 -38.66 78.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 109.993 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -60.94 -54.92 39.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.001 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.66 -34.81 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.458 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.517 ' HB2' HG21 ' B' ' 626' ' ' THR . . . -64.76 -47.31 78.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.928 0.394 . . . . 0.0 110.967 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.535 HD22 HD12 ' B' ' 682' ' ' ILE . 12.9 tp -68.28 -33.45 74.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.061 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.431 ' HG2' ' HB3' ' B' ' 678' ' ' ALA . 98.2 mt-30 -73.84 -23.86 59.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.396 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.532 ' O ' HD12 ' A' ' 210' ' ' LEU . 61.6 ttm-85 -80.2 -4.34 52.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.416 HG13 ' CD2' ' B' ' 674' ' ' TYR . 15.7 pt -121.87 -39.83 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.528 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.612 ' CD1' HG13 ' B' ' 681' ' ' ILE . 82.5 m-85 -105.34 23.0 14.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 119.412 -0.327 . . . . 0.0 111.847 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -30.92 -58.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -170.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -24.0 60.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.419 ' HZ3' ' CG ' ' A' ' 213' ' ' ASP . 14.2 mptt -119.93 27.12 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . 0.431 ' HB3' ' HG2' ' B' ' 671' ' ' GLN . . . -59.84 -46.72 88.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.462 -175.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.47 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 111.069 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.3 -41.9 55.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.612 HG13 ' CD1' ' B' ' 674' ' ' TYR . 27.8 mm -80.39 -30.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.229 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.535 HD12 HD22 ' B' ' 670' ' ' LEU . 27.5 mm -56.61 -39.99 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.516 0.674 . . . . 0.0 109.272 171.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -76.47 -27.77 56.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.95 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -54.85 -51.36 53.71 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.677 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.4 -24.15 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.778 0.323 . . . . 0.0 111.829 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -89.77 -45.36 9.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -57.12 -57.52 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.182 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.57 87.83 17.18 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 19.2 Cg_endo -59.53 -39.27 76.85 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.427 2.084 . . . . 0.0 112.656 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.6 m -77.45 1.15 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.344 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.473 HD13 HD22 ' A' ' 226' ' ' LEU . 56.9 mt -112.48 -56.07 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.222 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.527 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -71.72 -51.76 21.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.471 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 84.6 t -49.18 -50.89 61.15 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -173.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.8 Cg_endo -57.29 -46.8 25.68 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.008 1.805 . . . . 0.0 112.975 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.523 HD11 HD22 ' A' ' 223' ' ' LEU . 16.5 mt -68.29 -53.21 30.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.25 -43.35 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.956 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.455 HD13 ' CB ' ' B' ' 634' ' ' LEU . 51.4 tp -65.57 -37.56 87.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.735 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.47 -39.41 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.664 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 36.5 mmt180 -63.53 -37.15 86.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.182 0.515 . . . . 0.0 109.633 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.468 ' HG ' HD11 ' B' ' 631' ' ' ILE . 45.0 tp -71.96 -29.04 63.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.813 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 64.2 mmtt -73.29 -34.84 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.082 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 57.1 ttp -66.84 -41.32 87.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.335 0.588 . . . . 0.0 109.503 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.65 -35.44 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -53.38 -52.47 59.17 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 109.988 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.6 tt0 -54.55 -54.43 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.543 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -56.27 -52.91 62.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.471 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 7.3 m0 -59.94 -41.34 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -30.02 67.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 43.4 mm-40 -69.6 -38.22 77.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' B' ' 714' ' ' PHE . . . -67.53 -39.68 85.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.224 0.535 . . . . 0.0 109.792 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.421 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 34.3 tt0 -60.09 -36.23 76.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.3 ttm-85 -55.45 -46.17 76.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . 0.437 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -77.7 -37.07 31.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.193 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . 0.438 ' HD2' ' O ' ' B' ' 710' ' ' ALA . 93.8 m-85 -88.76 -61.64 1.66 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.01 0.405 . . . . 0.0 112.081 -177.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.495 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 25.3 t-20 -65.6 -55.02 19.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.503 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' B' ' 720' ' ' GLU . 26.7 ttpp -64.28 -54.02 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.317 -175.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.448 ' O ' ' HG2' ' B' ' 721' ' ' GLN . 92.0 t -59.6 -41.51 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.499 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -60.32 -45.6 92.84 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.229 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.68 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.605 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 50.0 mt-10 -60.89 -44.86 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.355 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 30.5 mm-40 -72.61 -26.78 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 -178.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.32 -47.86 12.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -80.4 -36.63 33.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.822 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -104.36 145.16 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.293 0.568 . . . . 0.0 111.172 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.01 86.11 5.74 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.992 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -83.87 -13.5 53.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.394 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 50.1 mt -90.09 45.01 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.537 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -85.05 -15.49 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.606 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.652 -0.689 . . . . 0.0 109.722 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -94.78 123.21 38.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -163.49 132.15 3.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -79.24 85.3 5.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -89.64 127.1 35.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.556 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -141.19 149.23 41.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.967 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -88.32 137.43 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -73.63 -21.07 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.794 0.331 . . . . 0.0 111.187 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.47 ' HA ' ' HA ' ' B' ' 673' ' ' ILE . 6.7 mp -84.5 171.77 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.127 0.489 . . . . 0.0 111.624 -176.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.549 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 62.9 mt -100.75 -169.0 1.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.206 174.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 216' ' ' ILE . 21.6 p -104.18 138.98 39.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 172.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.85 -38.08 69.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.616 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -57.77 -45.21 86.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.25 -32.47 70.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.323 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' B' ' 677' ' ' LYS . 60.8 mt -65.23 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.405 0.622 . . . . 0.0 109.98 175.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.649 ' SD ' ' HE2' ' B' ' 677' ' ' LYS . 87.9 mmm -65.67 -38.78 90.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.606 177.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.3 -40.45 94.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.597 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 9.2 t70 -56.48 -55.08 38.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.589 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' B' ' 680' ' ' ASP . 96.0 mt -55.92 -44.89 78.75 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.753 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -59.03 -46.14 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.395 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 87.8 m -63.7 -41.08 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.737 HD23 HD11 ' B' ' 695' ' ' ILE . 89.4 mt -53.99 -38.42 65.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.921 0.391 . . . . 0.0 111.395 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -101.8 13.49 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.744 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 225' ' ' LYS . 34.7 mmtm -107.89 -3.84 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.436 HD21 HG23 ' B' ' 691' ' ' ILE . 9.1 mp -108.14 135.91 48.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -121.93 121.18 36.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.111 0.482 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.25 1.087 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.584 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . 0.646 ' HB3' ' HB3' ' B' ' 609' ' ' HIS . 9.2 m120 -108.31 113.65 26.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.12 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -102.32 -48.02 4.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.588 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.4 2.94 55.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.271 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . 0.646 ' HB3' ' HB3' ' B' ' 606' ' ' ASN . 18.7 t-80 -105.24 89.29 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.72 111.31 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -116.22 96.83 5.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.973 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -135.83 -27.36 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.733 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 71.9 m -145.19 118.44 8.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.908 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -112.78 -77.19 0.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.58 10.24 41.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.527 0.679 . . . . 0.0 110.174 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 2.2 tp10 -69.11 -52.81 24.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.502 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.409 ' HA ' HD12 ' B' ' 620' ' ' LEU . 0.1 OUTLIER -64.25 -38.56 91.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.999 179.007 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . 0.467 ' O ' HG21 ' B' ' 622' ' ' VAL . 80.1 t80 -59.91 -45.47 92.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.606 ' O ' HG23 ' B' ' 623' ' ' VAL . 42.3 tt0 -62.48 -38.63 90.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.23 177.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.485 ' O ' HD21 ' B' ' 624' ' ' LEU . 93.7 mt -57.7 -46.1 84.81 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.59 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . 0.448 ' HA ' ' NE2' ' B' ' 711' ' ' GLN . 1.9 m-20 -63.8 -40.94 97.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.945 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . 0.467 HG21 ' O ' ' B' ' 618' ' ' PHE . 96.4 t -60.41 -46.52 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 619' ' ' GLU . 84.5 t -56.1 -57.02 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.485 HD21 ' O ' ' B' ' 620' ' ' LEU . 4.4 mm? -58.03 -47.4 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.571 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.89 -46.98 82.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.479 HG21 ' HB1' ' B' ' 669' ' ' ALA . 28.4 m -62.11 -35.08 77.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.297 0.57 . . . . 0.0 109.999 178.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.401 HD21 HD23 ' B' ' 628' ' ' LEU . 6.5 t30 -62.05 -53.52 54.38 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.09 175.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.401 HD23 HD21 ' B' ' 627' ' ' ASN . 3.6 mm? -56.47 -39.8 73.8 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.445 0.466 . . . . 0.0 111.52 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.2 89.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 110.366 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 41.9 m -68.46 -39.26 81.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.064 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.591 HD12 ' HG ' ' B' ' 700' ' ' LEU . 32.0 mm -58.78 -55.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.482 174.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 632' ' ' ARG . 27.4 mtm180 -56.05 -46.03 79.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.965 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.491 ' O ' HG13 ' B' ' 637' ' ' ILE . 11.6 p -68.58 -44.28 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.221 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.582 HD23 HD12 ' B' ' 637' ' ' ILE . 46.2 mt -67.6 -35.7 79.46 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.265 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.96 -44.43 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.722 0.296 . . . . 0.0 110.229 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.253 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.61 HG22 HD23 ' B' ' 654' ' ' LEU . 95.2 mt -66.17 -52.48 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.178 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -57.55 -46.83 83.44 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.345 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -72.44 -24.24 61.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.766 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -76.14 -40.2 53.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.087 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.0 mt -59.06 -58.81 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' SER . . . . . 0.516 ' HG ' ' C ' ' B' ' 641' ' ' LEU . 11.8 p 47.19 41.93 12.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.343 -177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . 0.635 ' HA ' ' OG ' ' B' ' 690' ' ' SER . 71.8 mtp180 65.8 93.71 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.565 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.591 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 78.8 mt -97.6 153.64 18.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.073 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.4 m -80.77 173.96 12.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.736 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.82 79.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 0.0 111.616 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.01 -38.48 86.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.591 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.4 mt-10 -68.73 -34.16 75.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.2 mt-30 -72.57 -23.05 60.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.001 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.09 -38.86 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.92 -59.29 3.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.128 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -110.69 105.29 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.702 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 28.4 ttm180 -130.03 160.11 34.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.719 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.61 HD23 HG22 ' B' ' 637' ' ' ILE . 87.2 mt -73.53 83.68 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.268 0.556 . . . . 0.0 111.408 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.72 -74.73 0.62 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.687 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.67 -28.07 19.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.1 m -66.3 -32.06 73.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.372 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.44 HD21 HD13 ' B' ' 654' ' ' LEU . 52.4 tp -95.9 -40.08 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.093 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' B' ' 663' ' ' GLU . . . -104.31 -97.84 2.48 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.81 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 57.54 -108.98 1.53 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.19 -0.528 . . . . 0.0 112.83 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 52.5 p -91.97 -28.27 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.158 0.504 . . . . 0.0 111.044 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 15.3 m -108.12 27.72 9.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.72 -173.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.563 ' HA ' ' HA2' ' B' ' 659' ' ' GLY . 29.8 tt0 -55.53 -60.27 3.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.074 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.01 -37.16 33.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.612 0.57 . . . . 0.0 111.857 -173.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.54 -51.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.069 0.462 . . . . 0.0 111.0 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -82.32 -32.23 29.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 110.155 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -59.21 -51.07 71.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.443 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -69.07 -41.79 77.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.479 ' HB1' HG21 ' B' ' 626' ' ' THR . . . -61.04 -42.17 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 17.0 tp -69.71 -37.12 76.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.32 -23.7 64.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.374 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.434 ' O ' ' HG ' ' A' ' 210' ' ' LEU . 41.3 ttm180 -60.42 -28.54 68.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.644 0.259 . . . . 0.0 111.01 177.015 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.549 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.1 pt -110.24 -41.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -100.04 27.65 5.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.459 -176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.93 0.35 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.11 -36.87 72.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.649 ' HE2' ' SD ' ' A' ' 217' ' ' MET . 46.7 mmtm -114.77 26.74 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.366 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.94 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.701 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . 0.422 ' HB3' ' CD2' ' A' ' 220' ' ' LEU . 4.2 m-20 -77.9 -41.57 36.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.776 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 50.5 mm -65.1 -47.01 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.063 0.458 . . . . 0.0 110.231 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.84 -38.8 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.68 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' B' ' 687' ' ' LYS . 17.2 t70 -56.58 -50.16 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.188 172.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.74 99.75 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.368 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.704 HD22 HG21 ' B' ' 696' ' ' VAL . 72.1 mt -56.77 -45.41 82.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 0.0 111.126 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.506 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 65.4 mtp180 -91.93 17.11 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 -177.083 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' B' ' 683' ' ' ASP . 2.7 tppp? -116.82 -57.87 2.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -133.8 82.64 49.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.937 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.44 -27.74 54.48 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.184 1.923 . . . . 0.0 112.154 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 690' ' ' SER . . . . . 0.635 ' OG ' ' HA ' ' B' ' 643' ' ' ARG . 11.5 t -74.86 -6.13 47.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.237 0.541 . . . . 0.0 110.434 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.436 HG23 HD21 ' A' ' 226' ' ' LEU . 68.3 mt -111.54 -53.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.01 176.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.581 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -68.83 -51.06 44.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.622 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.508 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 90.8 t -53.94 -49.3 90.39 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.508 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.3 Cg_exo -55.77 -41.19 79.96 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.697 1.598 . . . . 0.0 112.604 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.737 HD11 HD23 ' A' ' 223' ' ' LEU . 51.4 mt -71.09 -50.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.778 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.704 HG21 HD22 ' B' ' 685' ' ' LEU . 17.9 m -64.19 -35.08 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.87 -36.04 81.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.37 -44.19 92.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.196 0.522 . . . . 0.0 109.759 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -46.84 86.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.059 175.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.591 ' HG ' HD12 ' B' ' 631' ' ' ILE . 27.0 tp -66.07 -36.44 83.22 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.194 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.68 -42.29 91.45 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.094 0.474 . . . . 0.0 110.411 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 702' ' ' MET . . . . . 0.409 ' HE3' ' HB3' ' B' ' 702' ' ' MET . 12.4 tmm? -59.84 -46.52 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.097 175.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -71.43 -32.63 68.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.91 -51.23 70.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 44.0 mt-10 -61.03 -39.05 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.448 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.0 -54.38 47.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.827 0.346 . . . . 0.0 110.115 177.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -61.01 -44.23 97.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.754 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -65.18 -42.21 93.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 25.2 mt-10 -66.47 -37.49 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.468 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' B' ' 621' ' ' ASP . 37.7 tt0 -63.98 -34.2 77.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.573 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.51 -42.79 99.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -67.98 -35.27 83.86 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.067 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -88.67 -64.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.923 0.362 . . . . 0.0 111.74 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 47.8 t-20 -70.12 -56.08 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.314 -172.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 21.2 tptm -67.3 -44.33 79.5 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.073 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' B' ' 713' ' ' GLY . 57.3 t -62.7 -36.59 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.407 0.146 . . . . 0.0 110.826 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -55.73 -47.87 76.18 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 74.1 mtt180 -59.3 -50.12 75.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.326 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 8.0 mm-40 -54.41 -43.85 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.956 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -89.31 -34.44 16.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -71.77 -43.61 65.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.859 0.361 . . . . 0.0 110.482 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -75.51 -56.84 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 38.8 tttp 51.72 90.34 0.02 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.951 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -146.82 43.76 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.83 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . 0.439 ' HD2' ' HG ' ' B' ' 727' ' ' LEU . 66.4 t80 -66.62 -32.48 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.149 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . 0.439 ' HG ' ' HD2' ' B' ' 726' ' ' TYR . 82.2 mt -128.28 -167.29 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.392 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -90.24 -86.41 0.2 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.862 -0.59 . . . . 0.0 109.454 173.587 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.905 0.383 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -142.03 119.11 11.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.394 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -88.79 81.37 6.99 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -82.59 99.2 9.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.637 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.04 117.25 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.07 0.462 . . . . 0.0 109.936 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 89.2 mt -100.63 93.95 5.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.18 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.86 -27.25 40.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.176 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.693 ' HB3' ' HD2' ' B' ' 672' ' ' ARG . 85.2 m-85 69.74 -62.36 0.42 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 18.8 tp -62.7 156.83 22.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.786 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.99 164.82 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 171.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' THR . . . . . 0.429 ' O ' HG13 ' A' ' 216' ' ' ILE . 24.6 p -68.1 147.4 52.38 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.009 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.14 -38.58 58.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.43 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.58 -36.91 81.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.267 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -77.1 -31.01 55.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.595 0.236 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.479 HG12 ' HD1' ' B' ' 674' ' ' TYR . 75.1 mt -59.67 -50.32 80.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.588 0.709 . . . . 0.0 109.719 174.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 40.6 ttm -68.41 -28.11 66.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.637 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.46 -49.88 76.07 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.45 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 13.0 m-20 -63.11 -46.36 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.479 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.74 -36.53 79.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.936 0.398 . . . . 0.0 110.325 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.72 -34.02 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.17 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 88.4 m -62.51 -41.02 98.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.174 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 71.4 mt -61.9 -36.86 82.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.274 0.559 . . . . 0.0 110.046 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -15.91 60.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.673 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -76.95 -20.58 55.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.374 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -86.6 139.2 31.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -80.9 95.29 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.441 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.399 178.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.812 0.339 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -126.67 -25.27 3.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 73.34 -59.43 0.57 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.9 135.29 53.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -78.69 86.25 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.256 0.551 . . . . 0.0 111.327 -173.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 51.4 mm -84.4 134.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.049 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.534 ' HE1' ' HB3' ' B' ' 614' ' ' GLU . 47.1 t80 -57.01 105.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.314 0.578 . . . . 0.0 111.511 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -141.87 111.91 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.864 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 57.2 m 59.39 89.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.599 0.562 . . . . 0.0 112.074 174.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.534 ' HB3' ' HE1' ' B' ' 611' ' ' TYR . 9.5 tp10 -136.21 6.26 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.496 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.46 18.21 3.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.937 0.399 . . . . 0.0 110.104 -173.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -63.18 1.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.881 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -51.46 -46.19 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.577 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.12 -42.49 94.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.798 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . 0.403 ' O ' HG13 ' B' ' 623' ' ' VAL . 17.7 tt0 -67.11 -33.67 75.95 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.264 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.405 ' O ' HD21 ' B' ' 624' ' ' LEU . 3.7 mm? -66.65 -49.47 66.1 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.649 0.261 . . . . 0.0 110.574 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.24 -39.63 87.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.277 . . . . 0.0 111.134 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.26 -51.54 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.436 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.403 HG13 ' O ' ' B' ' 619' ' ' GLU . 14.2 p -64.34 -39.4 85.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.8 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.428 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.0 mm? -64.51 -45.46 87.15 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.042 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.64 -50.8 67.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.768 0.318 . . . . 0.0 110.72 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 626' ' ' THR . . . . . . . . . . . . . 20.3 m -57.58 -43.24 84.41 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.441 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.414 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.3 t30 -63.65 -49.6 72.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.925 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.14 -38.66 80.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.11 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 110.204 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 35.2 m -66.07 -39.52 90.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.901 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.58 HD11 ' HG ' ' B' ' 700' ' ' LEU . 29.7 mm -57.46 -55.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.72 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -59.24 -42.86 92.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.819 -175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.534 ' O ' HG13 ' B' ' 637' ' ' ILE . 14.8 p -70.32 -42.0 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.884 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.572 HD21 HD13 ' B' ' 637' ' ' ILE . 38.5 mt -68.29 -38.87 82.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.312 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.577 ' HG2' HD22 ' B' ' 697' ' ' LEU . 2.2 mt-10 -66.78 -34.09 77.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.617 0.246 . . . . 0.0 110.422 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.75 86.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 109.935 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.572 HD13 HD21 ' B' ' 634' ' ' LEU . 96.8 mt -60.33 -51.98 66.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.669 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . 0.427 HE22 ' HG3' ' B' ' 694' ' ' PRO . 6.2 tp60 -59.52 -37.27 77.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.866 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -64.77 -34.69 78.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.62 -30.04 33.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 76.1 mt -70.55 -68.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.793 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.8 t 62.24 18.24 9.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.645 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . 0.497 ' HA ' ' HB3' ' B' ' 690' ' ' SER . 56.6 mtt85 71.62 92.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.997 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 88.9 mt -101.59 174.34 6.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.0 m -79.88 169.65 17.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.089 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.8 82.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.038 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.31 -40.72 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.971 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.657 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.8 mt-10 -79.8 -29.36 40.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -176.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -73.86 -33.6 64.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.7 -21.85 57.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.354 0.597 . . . . 0.0 109.777 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.08 -61.08 2.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.795 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -105.34 88.74 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.448 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' B' ' 686' ' ' ARG . 44.7 ttp180 -107.25 152.16 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.76 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.503 HD21 HG23 ' B' ' 637' ' ' ILE . 52.3 mt -80.51 97.11 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -107.35 -84.07 0.53 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.232 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -74.84 -17.29 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 3.3 m -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.171 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.9 tt -120.76 -46.91 2.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.383 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -110.37 59.22 0.36 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -113.85 -117.49 3.33 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.896 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 38.8 p -91.46 -11.55 37.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 13.4 m -113.9 23.6 12.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.572 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.535 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 7.6 pt-20 -65.36 -27.8 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.07 -48.02 79.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.54 -36.45 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.727 0.299 . . . . 0.0 111.034 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . 0.442 ' HE2' HG22 ' B' ' 633' ' ' VAL . 74.0 m80 -65.82 -54.04 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.49 -176.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 36.1 ttp180 -71.23 -39.39 71.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.53 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.8 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.52 86.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 0.0 110.536 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -38.25 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 110.014 177.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 93.8 mt-30 -72.97 -24.24 60.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.813 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.693 ' HD2' ' HB3' ' A' ' 209' ' ' TYR . 17.6 tpp180 -67.67 -28.06 67.37 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.578 177.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.4 HD11 HD13 ' B' ' 700' ' ' LEU . 32.4 pt -101.62 -30.62 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.479 ' HD1' HG12 ' A' ' 216' ' ' ILE . 42.3 m-85 -137.97 52.44 1.86 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.377 0.132 . . . . 0.0 111.173 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -39.79 -54.65 2.08 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.49 -3.13 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.538 ' O ' HG12 ' B' ' 681' ' ' ILE . 7.5 tppt? -141.62 14.31 2.14 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.567 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.5 88.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.43 78.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.859 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.44 -35.62 79.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.298 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 677' ' ' LYS . 41.1 mm -73.16 -37.7 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.624 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.51 -39.97 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.755 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.24 -40.69 98.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.44 -45.59 94.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.115 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.646 HD21 HG13 ' B' ' 696' ' ' VAL . 95.8 mt -59.41 -40.99 88.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.985 0.421 . . . . 0.0 110.765 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' B' ' 653' ' ' ARG . 1.0 OUTLIER -65.46 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -77.46 -25.78 50.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.646 -168.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . 0.417 ' HB3' HD12 ' B' ' 691' ' ' ILE . 10.4 m120 -130.92 62.68 66.88 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 122.339 -0.225 . . . . 0.0 110.892 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.464 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 32.9 Cg_endo -63.67 -37.93 43.69 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.056 1.837 . . . . 0.0 112.689 -173.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 690' ' ' SER . . . . . 0.497 ' HB3' ' HA ' ' B' ' 643' ' ' ARG . 50.9 m -74.84 -2.69 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.858 -0.526 . . . . 0.0 111.107 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.417 HD12 ' HB3' ' B' ' 688' ' ' ASN . 42.3 mt -106.19 -62.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.013 177.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.46 -39.26 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.592 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 64.4 t -54.46 -55.23 39.71 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.592 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -53.77 -46.81 30.94 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.101 1.867 . . . . 0.0 112.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.8 -50.91 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.646 HG13 HD21 ' B' ' 685' ' ' LEU . 0.8 OUTLIER -65.83 -34.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -176.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.577 HD22 ' HG2' ' B' ' 635' ' ' GLU . 59.0 tp -68.32 -37.0 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.205 177.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.81 -45.26 95.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.423 ' HG3' ' HH ' ' B' ' 674' ' ' TYR . 35.7 mmt180 -65.7 -40.33 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.553 178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.58 ' HG ' HD11 ' B' ' 631' ' ' ILE . 31.3 tp -71.43 -33.34 69.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.076 -175.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.443 ' HD2' ' HA ' ' B' ' 701' ' ' LYS . 7.7 tptm -70.39 -38.11 74.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.803 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 51.0 ttp -61.62 -45.04 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.076 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.467 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 53.8 mmtt -68.18 -36.36 79.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.245 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.402 ' HG3' HG13 ' B' ' 631' ' ' ILE . 2.8 tm-20 -55.89 -44.6 78.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.78 -47.36 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.372 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.51 -49.15 77.24 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.467 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 6.7 m0 -64.26 -39.28 93.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -35.14 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.982 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.03 -32.8 69.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.4 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.55 -44.74 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -63.1 -35.04 78.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.985 0.421 . . . . 0.0 110.016 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.605 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 60.2 ttp180 -65.23 -39.8 93.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.759 174.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -61.82 -45.99 95.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.765 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . 0.406 ' O ' ' HB3' ' B' ' 718' ' ' TRP . 93.1 m-85 -88.62 -66.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.954 0.377 . . . . 0.0 111.773 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.29 -53.53 42.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 111.865 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.605 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 58.3 tptt -61.02 -60.17 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.242 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 712' ' ' ARG . 84.6 t -60.86 -43.33 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.846 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . 0.406 ' HB3' ' O ' ' B' ' 714' ' ' PHE . 29.2 t90 -59.64 -47.0 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.949 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 53.3 ttp180 -62.38 -51.96 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.101 -0.239 . . . . 0.0 110.901 -177.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 70.3 mm-40 -59.47 -39.84 85.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -176.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -73.66 -28.32 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.216 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.64 -43.49 37.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 11.4 pt-20 -81.56 -3.64 53.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . 0.496 ' HZ3' ' HB2' ' B' ' 724' ' ' LYS . 0.2 OUTLIER -103.6 165.26 11.15 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.045 -178.223 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 5.3 t80 58.07 53.96 6.31 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.601 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -77.14 -15.7 59.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 63.5 mt -103.74 116.5 32.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.565 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -79.76 130.22 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.279 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.145 179.003 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -177.29 145.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -136.05 -78.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.064 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -155.92 124.75 6.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.69 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -91.56 132.24 36.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.09 84.84 5.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.333 0.587 . . . . 0.0 110.678 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.56 -40.61 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.584 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.482 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 49.9 m-85 68.53 -59.85 0.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.577 0.751 . . . . 0.0 111.655 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 34.8 tp -68.56 163.65 23.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.121 0.568 . . . . 0.0 111.013 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' B' ' 673' ' ' ILE . 5.5 mt -91.63 139.14 30.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.81 0.338 . . . . 0.0 110.1 173.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.6 m -62.96 137.54 58.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.805 174.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.9 -22.33 47.88 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.754 0.312 . . . . 0.0 111.034 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.71 -55.3 27.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -68.16 -37.66 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.637 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.55 -52.95 55.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.997 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.37 -32.53 73.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.421 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.06 -46.99 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.074 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.23 -50.85 71.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.1 mp -54.82 -46.54 74.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.106 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.66 -37.99 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.7 m -64.01 -46.46 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.744 0.307 . . . . 0.0 110.355 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.83 -31.89 72.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.374 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -86.11 -23.46 26.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -100.17 -31.92 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.492 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.1 tt -84.53 87.55 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -121.6 148.81 44.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.211 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.029 -179.48 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.524 0.202 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -120.06 153.69 35.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -100.47 14.58 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.69 163.02 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -90.4 86.1 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.12 0.486 . . . . 0.0 110.178 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.1 137.79 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.192 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.652 ' CE2' ' HA ' ' B' ' 614' ' ' GLU . 11.9 t80 -139.27 97.87 3.39 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -112.0 121.59 45.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.575 -167.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 14.0 t 58.71 32.71 22.47 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.133 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.652 ' HA ' ' CE2' ' B' ' 611' ' ' TYR . 46.0 mt-10 66.46 -0.58 1.48 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.108 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 55.49 19.76 3.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.296 0.638 . . . . 0.0 112.205 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 8.1 tp10 -68.9 -50.88 45.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -59.76 -36.76 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.365 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.34 -48.16 81.43 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.68 -32.56 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.495 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 92.5 mt -65.62 -44.4 86.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.988 0.423 . . . . 0.0 110.481 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.46 -49.48 77.62 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.104 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.0 -50.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.868 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.82 -40.68 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.415 HD23 ' O ' ' B' ' 620' ' ' LEU . 3.3 mm? -63.64 -45.79 88.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.453 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.509 HG22 ' HB2' ' B' ' 669' ' ' ALA . 10.7 m -66.79 -39.47 87.78 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.304 0.574 . . . . 0.0 110.188 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.484 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -58.61 -52.14 66.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.365 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -40.77 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.236 -177.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.56 88.6 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 24.1 m -69.34 -37.25 77.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.511 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.484 HG12 ' O ' ' B' ' 627' ' ' ASN . 32.8 mm -58.58 -50.16 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.173 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -56.23 -50.83 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.586 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.9 p -65.29 -41.7 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.499 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.578 ' HB3' HD11 ' B' ' 697' ' ' LEU . 32.6 mt -70.04 -38.09 75.76 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.494 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -59.04 -43.26 91.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.96 0.409 . . . . 0.0 110.586 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.586 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.8 mm -65.35 -46.21 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.914 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -55.45 -48.2 74.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -63.38 -37.84 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.416 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . 0.487 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 26.3 tttp -73.64 -37.28 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 68.1 mt -69.55 -55.22 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p 50.51 30.01 4.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.163 0.585 . . . . 0.0 111.232 -175.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 62.42 91.85 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.623 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 85.5 mt -94.82 174.01 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.626 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 54.0 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.094 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.27 -49.85 66.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.12 -29.98 71.07 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.655 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.623 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.1 mt-10 -79.43 -34.47 41.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 645' ' ' SER . 78.1 mt-30 -66.65 -32.13 73.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.227 0.537 . . . . 0.0 110.354 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.47 57.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.47 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -73.27 -50.68 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.672 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.487 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 77.8 t80 -102.01 102.19 12.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.212 0.53 . . . . 0.0 110.132 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.506 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 12.2 ttp180 -126.16 157.3 38.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.529 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.679 HD11 HD13 ' B' ' 658' ' ' LEU . 1.9 mm? -72.05 91.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -123.08 -57.66 1.68 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -87.95 -50.32 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.9 m -56.59 -50.55 71.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.679 HD13 HD11 ' B' ' 654' ' ' LEU . 10.9 mp -94.09 74.21 4.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -167.23 -147.04 5.12 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.233 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 64.61 -136.38 38.93 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 2.8 m -92.53 -6.35 49.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.431 0.634 . . . . 0.0 110.121 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 7.4 t -93.47 2.3 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.725 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' B' ' 664' ' ' VAL . 8.5 pt-20 -63.02 -44.29 96.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' B' ' 663' ' ' GLU . 8.4 p -66.8 -33.73 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.659 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.19 -57.45 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.217 0.532 . . . . 0.0 110.641 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -70.11 -36.26 74.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.034 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 70.9 ttt180 -62.88 -52.68 62.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.491 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.5 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.057 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.37 -42.18 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.458 . . . . 0.0 110.511 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.504 HD12 HD11 ' B' ' 673' ' ' ILE . 21.7 tp -72.75 -32.14 65.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.186 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 56.7 mt-30 -68.55 -25.8 65.1 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.575 0.226 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.525 ' O ' ' HB2' ' A' ' 211' ' ' LEU . 31.5 pt -100.36 -38.23 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.314 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.5 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 32.0 m-85 -101.25 28.2 5.59 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.34 -34.73 2.07 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.97 -36.19 64.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -136.91 34.5 2.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 111.078 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.19 86.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.84 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -79.68 -47.6 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.796 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.75 -40.22 87.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.582 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.36 -40.03 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.11 -39.62 90.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.315 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.0 92.7 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.195 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.547 HD21 HG11 ' B' ' 696' ' ' VAL . 95.2 mt -62.56 -38.21 89.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.6 177.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.506 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 13.8 tpt180 -81.62 13.6 3.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.925 -175.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -142.9 -48.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.273 -0.267 . . . . 0.0 111.557 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -128.03 85.67 60.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.43 . . . . 0.0 110.429 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.446 ' HB3' HD23 ' B' ' 654' ' ' LEU . 24.7 Cg_endo -61.1 -54.1 2.07 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.712 2.274 . . . . 0.0 112.815 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 690' ' ' SER . . . . . 0.435 ' HB3' ' CD ' ' B' ' 649' ' ' GLN . 23.1 t -69.73 -2.83 12.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -172.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 62.7 mt -100.29 -56.09 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.23 40.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.434 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 50.8 t -54.36 -56.15 29.61 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.3 Cg_endo -55.31 -45.57 39.18 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.892 1.728 . . . . 0.0 112.613 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.616 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 18.4 mt -66.96 -54.84 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -177.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.547 HG11 HD21 ' B' ' 685' ' ' LEU . 3.1 p -62.5 -35.44 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.851 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.578 HD11 ' HB3' ' B' ' 634' ' ' LEU . 53.3 tp -63.65 -41.79 98.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.528 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.14 -36.28 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.905 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 28.0 mmt180 -62.59 -46.63 87.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.509 0.671 . . . . 0.0 109.531 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.12 -29.79 68.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.382 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' B' ' 697' ' ' LEU . 7.9 tptm -69.21 -45.58 69.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -70.43 -31.55 68.77 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.525 ' HG2' HG21 ' B' ' 673' ' ' ILE . 7.8 tptp -68.62 -35.99 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.93 -46.49 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.173 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.34 -33.61 75.03 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -69.43 -44.38 71.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.899 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.482 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 4.6 m0 -64.27 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.613 0.244 . . . . 0.0 110.602 176.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' B' ' 712' ' ' ARG . 20.9 mmt180 -60.0 -44.46 94.52 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.501 172.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.63 -43.57 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.65 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.698 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.18 -39.56 93.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.638 ' O ' HG22 ' B' ' 717' ' ' VAL . 67.0 mtt180 -61.97 -46.85 87.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.544 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.58 78.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.227 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -89.1 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -67.31 -52.72 37.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.957 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 64.9 tttp -64.21 -53.23 52.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.638 HG22 ' O ' ' B' ' 712' ' ' ARG . 84.2 t -61.11 -36.64 73.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.375 -177.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.71 -42.07 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' B' ' 724' ' ' LYS . 11.6 mm-40 -68.8 -25.87 64.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.407 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.404 HE21 HG11 ' B' ' 717' ' ' VAL . 46.5 mt-30 -89.55 -33.56 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -81.35 -63.33 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -174.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.49 -15.79 55.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.61 -173.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . 0.565 ' HB2' ' O ' ' B' ' 720' ' ' GLU . 95.5 mttt -108.95 167.19 10.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.408 . . . . 0.0 110.664 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -93.06 85.68 5.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.547 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -74.37 158.48 33.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.77 180.0 3.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.789 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . 0.59 ' HB2' ' HZ2' ' B' ' 728' ' ' LYS . 0.2 OUTLIER -99.52 15.71 25.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.402 0.62 . . . . 0.0 109.76 178.727 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.142 179.194 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.713 0.292 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -165.6 133.38 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.195 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -108.87 -34.38 6.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.315 0.579 . . . . 0.0 109.708 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -149.45 124.76 10.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.54 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -97.83 117.45 32.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.907 0.384 . . . . 0.0 110.458 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.27 78.83 8.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.286 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -97.79 -37.08 10.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.684 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 43.1 m-85 69.76 -57.92 0.54 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.901 0.751 . . . . 0.0 111.972 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.545 HD23 ' O ' ' B' ' 672' ' ' ARG . 45.3 mt -75.06 -172.95 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 112.054 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.454 ' HB2' HD13 ' A' ' 216' ' ' ILE . 82.0 mt -126.22 151.52 47.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.219 173.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 63.4 m -68.93 149.58 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.04 -40.99 24.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.021 0.528 . . . . 0.0 112.026 -177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -54.56 -48.11 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.72 -36.59 82.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . 0.454 HD13 ' HB2' ' A' ' 211' ' ' LEU . 44.1 mm -62.15 -56.92 14.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 26.4 tpp -66.62 -30.48 70.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.482 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.49 -46.06 80.68 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.978 174.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.646 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 2.2 t70 -59.35 -53.46 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.496 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.82 -50.12 61.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.665 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.02 -36.04 83.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 74.3 m -71.32 -35.3 71.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.846 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.6 mt -61.4 -36.32 79.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.284 0.564 . . . . 0.0 110.592 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -74.45 -32.17 62.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.821 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 227' ' ' LYS . 58.4 mtpt -90.53 -80.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.537 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.569 ' HG ' HG12 ' B' ' 691' ' ' ILE . 0.2 OUTLIER 51.64 48.04 23.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.679 0.752 . . . . 0.0 109.72 -172.277 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 225' ' ' LYS . 66.3 mttm -130.21 27.0 5.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.615 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.17 -178.462 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -69.72 132.54 46.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.016 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.1 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.734 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.3 145.82 39.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -77.49 112.48 14.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.815 0.34 . . . . 0.0 111.511 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.8 123.28 39.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . 0.454 ' CE2' ' HB2' ' B' ' 615' ' ' ASP . 37.1 t80 -94.48 122.4 37.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.664 0.268 . . . . 0.0 110.484 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -147.79 35.19 0.85 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 614' ' ' GLU . 99.9 m 73.53 162.85 0.26 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.443 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' B' ' 613' ' ' CYS . 7.5 mm-40 71.12 1.96 4.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.964 -170.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.796 ' HA ' ' HD2' ' B' ' 618' ' ' PHE . 21.7 m-20 -82.28 -2.82 53.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.07 -41.83 85.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.079 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -66.17 -33.72 76.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.153 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . 0.796 ' HD2' ' HA ' ' B' ' 615' ' ' ASP . 90.1 m-85 -62.16 -40.81 97.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.24 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.18 -40.83 98.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.962 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' B' ' 623' ' ' VAL . 92.7 mt -60.73 -45.43 94.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.989 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -65.07 -38.58 91.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.89 -46.7 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.209 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' B' ' 620' ' ' LEU . 14.6 p -68.1 -37.01 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.993 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -67.28 -40.98 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 177.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.453 HG22 ' HB3' ' B' ' 669' ' ' ALA . 15.6 m -63.63 -33.3 75.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.4 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.552 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -60.36 -56.41 21.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 175.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.86 -40.73 85.17 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.415 0.447 . . . . 0.0 110.529 -178.02 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.21 90.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.222 0.534 . . . . 0.0 110.723 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.491 HG21 HD21 ' B' ' 634' ' ' LEU . 28.3 m -70.29 -34.29 72.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.376 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.552 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.6 mm -58.04 -48.2 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 63.0 mtt180 -55.26 -54.76 39.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.226 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.489 HG13 ' HA ' ' B' ' 630' ' ' THR . 12.1 p -66.05 -38.12 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.345 -177.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.937 ' HB3' HD12 ' B' ' 697' ' ' LEU . 2.3 mm? -63.84 -47.85 79.13 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.527 -0.108 . . . . 0.0 111.245 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -59.14 -37.34 77.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.19 66.73 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.485 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.9 mm -63.31 -46.78 94.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.64 -42.43 78.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.264 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -71.45 -40.07 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . 0.455 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 40.7 tttm -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 70.2 mt -73.83 -70.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.768 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.4 m 50.28 40.92 23.54 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.029 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 61.51 92.24 0.05 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.321 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.74 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.3 mt -91.2 154.2 19.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.08 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 645' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 7.7 m -67.77 168.57 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -49.92 -53.16 27.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.139 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.74 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 46.2 mt-10 -71.21 -42.23 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -176.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.484 ' HB2' ' HG2' ' B' ' 689' ' ' PRO . 11.8 pt20 -79.28 -21.91 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.79 58.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.636 170.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.73 -51.89 11.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.981 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . 0.455 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 58.6 t80 -102.23 98.51 8.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.614 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.571 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.4 ttp180 -116.14 148.84 39.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.447 -177.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . 0.451 HD21 HD23 ' B' ' 658' ' ' LEU . 6.6 mp -78.66 141.16 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.964 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . 0.412 ' H ' HG22 ' B' ' 657' ' ' THR . 44.3 t0 -172.99 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -94.22 -9.65 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 657' ' ' THR . . . . . 0.412 HG22 ' H ' ' B' ' 655' ' ' ASP . 8.8 t -70.52 -3.57 18.58 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.787 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.451 HD23 HD21 ' B' ' 654' ' ' LEU . 97.6 mt -89.68 2.96 54.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.588 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' B' ' 663' ' ' GLU . . . 126.93 126.06 2.88 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.061 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -64.43 -35.7 92.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.399 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 13.7 t -128.77 -18.21 3.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.415 0.626 . . . . 0.0 109.51 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 662' ' ' SER . . . . . 0.416 ' HB3' HD13 ' B' ' 665' ' ' ILE . 6.6 m -84.19 9.14 13.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.972 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.47 ' HB3' ' O ' ' B' ' 659' ' ' GLY . 11.7 pt-20 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.668 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.0 -41.91 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.832 -174.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.416 HD13 ' HB3' ' B' ' 662' ' ' SER . 19.3 pt -66.12 -45.36 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.477 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.03 -45.8 76.39 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.945 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.786 ' HG3' HG12 ' B' ' 682' ' ' ILE . 43.6 ttm180 -58.92 -51.58 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.312 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt -62.4 -36.25 81.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.421 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . 0.453 ' HB3' HG22 ' B' ' 626' ' ' THR . . . -60.86 -43.44 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.829 0.347 . . . . 0.0 110.438 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 24.7 tp -71.9 -27.34 62.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.341 0.591 . . . . 0.0 110.265 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.662 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 93.0 mt-30 -72.82 -23.87 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.493 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.545 ' O ' HD23 ' A' ' 210' ' ' LEU . 52.9 mtp180 -73.41 -6.65 47.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.621 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.741 HG21 ' HG3' ' B' ' 703' ' ' LYS . 35.0 pt -115.63 -35.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.646 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.74 32.19 4.03 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.683 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.89 -58.49 0.52 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -63.48 -42.62 98.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' B' ' 677' ' ' LYS . 64.9 mmtt -109.53 31.05 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 0.0 111.294 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . 0.65 ' HB3' ' HG2' ' B' ' 671' ' ' GLN . . . -56.94 -35.39 69.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.535 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.77 83.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.23 -41.24 67.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 44.6 mm -63.87 -46.49 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.938 0.399 . . . . 0.0 110.712 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . 0.786 HG12 ' HG3' ' B' ' 667' ' ' ARG . 1.8 mp -66.02 -36.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.059 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.71 -41.7 98.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 175.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.39 -37.88 95.52 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.505 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.865 HD21 HG22 ' B' ' 696' ' ' VAL . 93.8 mt -59.71 -38.03 80.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.442 0.639 . . . . 0.0 110.713 175.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.571 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 37.4 mtp-105 -88.77 18.57 4.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.548 -176.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 32.7 ttmt -140.18 -57.7 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 -175.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -121.15 80.18 35.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.353 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.484 ' HG2' ' HB2' ' B' ' 649' ' ' GLN . 56.6 Cg_endo -71.11 -36.13 7.79 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.65 2.233 . . . . 0.0 113.075 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 33.6 m -73.36 -0.95 16.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.569 HG12 ' HG ' ' A' ' 226' ' ' LEU . 81.0 mt -117.3 -57.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -72.55 -45.61 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -173.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.495 ' HA ' HG21 ' B' ' 696' ' ' VAL . 74.7 t -54.35 -50.51 84.57 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -174.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.486 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 80.8 Cg_exo -51.77 -45.54 37.61 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.623 1.549 . . . . 0.0 112.545 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.544 HD13 HD21 ' A' ' 223' ' ' LEU . 19.4 mt -70.33 -48.68 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.865 HG22 HD21 ' B' ' 685' ' ' LEU . 27.2 m -66.16 -41.24 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.937 HD12 ' HB3' ' B' ' 634' ' ' LEU . 33.2 tp -66.59 -37.17 84.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.43 . . . . 0.0 110.039 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 694' ' ' PRO . 34.8 ttmt -68.21 -43.31 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -67.52 -36.37 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.621 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.88 -34.89 78.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.525 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.428 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 2.1 tptm -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.011 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.7 ttp -64.05 -40.36 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.261 0.553 . . . . 0.0 109.574 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.741 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.0 mmtt -70.56 -32.65 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.038 176.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.59 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 30.8 tt0 -53.56 -50.36 65.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 172.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 25.4 mm-40 -55.61 -53.67 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.968 175.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.26 -52.62 62.81 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.642 0.589 . . . . 0.0 111.393 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.684 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 11.0 m0 -67.78 -35.0 77.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.537 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . 0.59 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -64.46 -50.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.423 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.3 pt-20 -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.747 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.13 75.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 0.0 110.309 174.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -66.58 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.322 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.64 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 28.5 ttm180 -67.52 -41.55 84.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -71.76 -40.15 58.76 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.839 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -88.78 -64.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -76.16 -49.62 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER -58.77 -48.42 81.3 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -176.215 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.637 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 73.8 t -61.05 -45.67 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.665 176.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -55.52 -45.72 77.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.818 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.64 -35.32 80.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.672 0.273 . . . . 0.0 111.024 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 7.6 mm-40 -63.47 -50.13 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' B' ' 717' ' ' VAL . 27.8 mt-30 -69.74 -20.74 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -81.18 -66.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.968 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.32 -43.54 64.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.512 -175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . 0.79 ' HG2' ' HG ' ' B' ' 727' ' ' LEU . 45.9 tptt -89.03 101.85 14.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.413 0.625 . . . . 0.0 110.556 -175.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.49 -20.23 60.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.47 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -95.88 14.69 22.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -175.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . 0.79 ' HG ' ' HG2' ' B' ' 724' ' ' LYS . 30.2 mt -101.53 7.21 42.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.519 0.676 . . . . 0.0 109.67 170.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -101.69 133.16 46.83 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.473 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.591 -179.763 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.903 0.383 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -115.69 -37.15 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.707 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.63 92.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.52 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 127.01 21.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.13 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -78.55 102.27 7.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.308 0.575 . . . . 0.0 109.649 176.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.63 102.67 12.37 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.844 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.71 89.48 5.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.93 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . 0.637 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 51.0 m-85 -68.13 -45.18 74.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.492 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' LEU . . . . . 0.435 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 42.2 tp -68.08 160.17 29.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.173 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . 0.467 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 71.8 mt -99.29 137.7 37.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 7.6 p -62.36 142.59 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.934 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.64 -33.0 44.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.949 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -54.55 -48.56 71.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.61 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -71.62 -34.47 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.736 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.0 -52.23 60.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 110.499 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' MET . . . . . 0.505 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 0.8 OUTLIER -65.08 -36.87 85.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.719 178.429 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.65 -44.35 96.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.414 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' ASP . . . . . 0.488 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 51.0 m-20 -62.99 -43.85 97.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' B' ' 677' ' ' LYS . 41.2 mt -60.03 -39.25 85.24 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.248 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' ' 217' ' ' MET . 87.5 mtt180 -60.35 -47.65 85.16 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.487 0.661 . . . . 0.0 109.916 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 226' ' ' LEU . 22.4 m -65.51 -29.19 69.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.481 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . 0.579 HD22 HD13 ' B' ' 695' ' ' ILE . 94.2 mt -66.38 -15.06 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.823 0.344 . . . . 0.0 111.424 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -112.35 -55.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.239 0.542 . . . . 0.0 110.228 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -94.86 20.4 8.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.552 -173.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . 0.445 HD23 HG22 ' B' ' 691' ' ' ILE . 67.7 tp -39.42 107.07 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.575 0.547 . . . . 0.0 111.541 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -132.24 64.05 1.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.681 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.925 -179.439 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.569 0.223 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -86.58 97.59 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 0.0 110.697 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -99.03 -10.59 22.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.04 157.1 34.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.843 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -87.23 97.97 11.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.224 0.535 . . . . 0.0 111.683 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.51 97.33 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.268 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -99.54 134.09 42.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.328 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -128.42 -176.43 3.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.247 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 88.6 m -101.68 153.32 19.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 170.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 614' ' ' GLU . . . . . 0.436 ' HB3' ' H ' ' B' ' 615' ' ' ASP . 52.5 mm-40 -83.03 -160.73 0.43 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.189 0.518 . . . . 0.0 110.236 173.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 615' ' ' ASP . . . . . 0.983 ' HA ' ' HD2' ' B' ' 618' ' ' PHE . 6.6 p-10 -78.75 19.67 0.5 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.02 -174.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.58 -48.82 71.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 617' ' ' ARG . . . . . 0.463 ' O ' ' HG2' ' B' ' 617' ' ' ARG . 9.8 ttt180 -61.66 -33.18 73.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.826 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 618' ' ' PHE . . . . . 0.983 ' HD2' ' HA ' ' B' ' 615' ' ' ASP . 83.3 m-85 -64.25 -39.07 93.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.036 -175.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -70.78 -39.11 73.36 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.624 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 620' ' ' LEU . . . . . 0.505 ' HA ' HG13 ' B' ' 623' ' ' VAL . 97.0 mt -62.41 -46.3 89.21 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.071 0.462 . . . . 0.0 110.712 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.03 -46.54 85.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.729 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.15 -51.04 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.787 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 623' ' ' VAL . . . . . 0.505 HG13 ' HA ' ' B' ' 620' ' ' LEU . 14.5 p -62.74 -38.06 80.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.084 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 624' ' ' LEU . . . . . 0.481 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 1.9 mm? -66.59 -42.09 87.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.738 0.304 . . . . 0.0 110.611 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.39 -48.74 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 626' ' ' THR . . . . . 0.649 HG21 ' HB ' ' B' ' 665' ' ' ILE . 26.8 m -60.23 -39.36 86.43 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.292 0.568 . . . . 0.0 110.315 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 627' ' ' ASN . . . . . 0.482 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.8 t-20 -60.15 -57.73 11.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.407 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.6 -30.95 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.42 75.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 630' ' ' THR . . . . . 0.539 HG22 HD21 ' B' ' 634' ' ' LEU . 28.5 m -67.12 -38.13 85.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 178.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 631' ' ' ILE . . . . . 0.523 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 32.1 mm -55.41 -55.12 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -63.1 -40.85 98.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.703 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 633' ' ' VAL . . . . . 0.608 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.9 p -69.92 -37.08 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.524 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 634' ' ' LEU . . . . . 0.988 ' HB3' HD11 ' B' ' 697' ' ' LEU . 1.4 mm? -62.0 -50.07 73.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.636 0.255 . . . . 0.0 110.857 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 635' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 46.0 mt-10 -58.2 -42.4 86.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.94 87.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' ILE . . . . . 0.608 HG12 ' O ' ' B' ' 633' ' ' VAL . 43.9 mm -61.35 -45.66 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.934 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -59.95 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.78 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 68.3 mttm -66.28 -46.7 76.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 178.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -66.54 -28.48 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 86.8 mt -75.22 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 60.41 26.63 16.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.092 -174.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 61.38 89.08 0.08 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.298 -174.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' LEU . . . . . 0.711 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 94.9 mt -85.83 162.04 18.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.142 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 2.0 m -80.39 173.96 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.947 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -54.58 -48.76 71.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.79 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.766 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 648' ' ' GLU . . . . . 0.711 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.0 mt-10 -75.31 -28.7 59.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.698 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 649' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.6 mt-30 -71.49 -31.73 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.265 174.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.84 58.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -75.18 -59.54 2.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.434 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -110.02 99.97 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 653' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 43.7 ttm180 -120.49 158.6 26.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.478 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 52.5 mt -80.82 133.5 35.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -162.58 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.77 173.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -81.01 -12.71 59.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.723 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 657' ' ' THR . . . . . 0.58 ' HB ' HD12 ' B' ' 658' ' ' LEU . 0.0 OUTLIER -55.79 -45.36 78.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.578 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . 0.58 HD12 ' HB ' ' B' ' 657' ' ' THR . 4.9 mp -113.53 -9.86 13.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 659' ' ' GLY . . . . . 0.96 ' HA2' ' HG2' ' B' ' 663' ' ' GLU . . . -85.27 -176.09 50.56 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.068 -174.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.86 -142.36 15.56 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.52 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 1.9 m -72.02 -25.7 61.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.204 0.526 . . . . 0.0 110.658 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m -91.77 2.25 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.706 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 663' ' ' GLU . . . . . 0.96 ' HG2' ' HA2' ' B' ' 659' ' ' GLY . 0.5 OUTLIER -65.98 -39.24 90.17 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.619 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.21 -40.74 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.997 -175.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 665' ' ' ILE . . . . . 0.649 ' HB ' HG21 ' B' ' 626' ' ' THR . 37.4 pt -71.6 -35.45 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.935 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -72.8 -44.56 61.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 667' ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 4.7 tpp180 -59.12 -54.43 47.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.589 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -62.11 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.442 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.23 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.569 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 670' ' ' LEU . . . . . 0.626 HD12 HD12 ' B' ' 673' ' ' ILE . 13.6 tp -72.76 -28.98 62.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.136 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 671' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 50.0 mt-30 -75.9 -24.81 55.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.305 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 672' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 64.1 mtp180 -76.46 -10.96 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.001 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . 0.626 HD12 HD12 ' B' ' 670' ' ' LEU . 21.4 pt -114.32 -37.28 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.594 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 674' ' ' TYR . . . . . 0.42 ' CD2' HG13 ' B' ' 673' ' ' ILE . 80.2 m-85 -108.13 33.26 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.461 -0.149 . . . . 0.0 110.64 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.12 -52.21 0.77 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.66 -7.29 58.44 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -171.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 677' ' ' LYS . . . . . 0.68 ' HG2' HD12 ' A' ' 220' ' ' LEU . 20.3 tptt -150.78 37.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 110.721 -173.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -76.27 -38.66 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.988 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.86 76.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.194 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.39 -23.72 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 42.1 mm -79.81 -44.59 23.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.35 -41.25 86.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.36 -41.31 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.661 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.23 52.77 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.513 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 685' ' ' LEU . . . . . 0.67 HD21 HG12 ' B' ' 696' ' ' VAL . 94.4 mt -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 111.62 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 686' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 10.5 mpt_? -86.67 17.9 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -177.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -138.2 -50.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.672 0.272 . . . . 0.0 111.133 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -126.71 79.62 71.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.551 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 689' ' ' PRO . . . . . 0.478 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 53.9 Cg_endo -69.44 -19.29 37.86 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.572 2.181 . . . . 0.0 112.9 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 21.5 t -76.3 -17.71 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.2 0.524 . . . . 0.0 109.763 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 691' ' ' ILE . . . . . 0.445 HG22 HD23 ' A' ' 226' ' ' LEU . 45.9 mt -104.25 -63.18 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.063 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 692' ' ' ALA . . . . . 0.421 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -66.65 -43.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 693' ' ' VAL . . . . . 0.656 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 81.0 t -55.77 -57.18 22.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 119.299 -0.381 . . . . 0.0 111.586 -176.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 694' ' ' PRO . . . . . 0.656 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 84.8 Cg_exo -49.88 -50.4 13.35 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.441 2.094 . . . . 0.0 113.089 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 695' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 223' ' ' LEU . 47.9 mt -62.86 -57.31 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 696' ' ' VAL . . . . . 0.67 HG12 HD21 ' B' ' 685' ' ' LEU . 1.4 p -63.32 -34.79 69.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.584 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 697' ' ' LEU . . . . . 0.988 HD11 ' HB3' ' B' ' 634' ' ' LEU . 37.0 tp -62.29 -47.98 81.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -60.03 -43.14 95.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.71 0.291 . . . . 0.0 111.115 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 699' ' ' ARG . . . . . 0.499 ' O ' ' HG3' ' B' ' 702' ' ' MET . 21.5 tpp180 -61.69 -40.75 96.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 109.924 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 700' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.8 tp -71.41 -35.96 71.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.69 -178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 701' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 32.3 mmmt -67.72 -41.12 84.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.299 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 702' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -70.41 -32.45 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.022 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 703' ' ' LYS . . . . . 0.403 ' HD2' ' HA ' ' B' ' 703' ' ' LYS . 7.4 tptm -72.48 -36.22 68.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 704' ' ' GLU . . . . . 0.433 ' OE1' HG22 ' B' ' 631' ' ' ILE . 4.2 tt0 -54.47 -52.52 61.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.261 0.553 . . . . 0.0 110.213 173.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.05 -46.31 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.89 -45.75 92.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 707' ' ' TRP . . . . . 0.637 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 3.6 m0 -62.62 -44.78 95.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.335 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -61.93 -41.08 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.866 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -63.39 -39.13 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.28 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.382 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 711' ' ' GLN . . . . . 0.481 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 1.1 tt0 -60.35 -39.78 88.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.066 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 712' ' ' ARG . . . . . 0.508 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 23.7 ttm180 -63.64 -49.18 74.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.459 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.49 98.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.941 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -87.21 -65.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.738 0.304 . . . . 0.0 111.608 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 715' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' B' ' 617' ' ' ARG . 11.0 m120 -78.06 -51.54 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.067 -167.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 716' ' ' LYS . . . . . 0.508 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 14.2 tmtt? -59.79 -49.32 78.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.472 -175.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 717' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 712' ' ' ARG . 69.5 t -63.64 -50.11 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -53.17 -42.81 66.55 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.092 0.472 . . . . 0.0 110.248 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -61.4 -54.52 42.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.112 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 720' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' B' ' 724' ' ' LYS . 19.7 pt-20 -74.41 -14.36 60.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -87.94 -42.24 12.61 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.33 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -82.27 -59.32 2.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 111.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.25 -49.2 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.254 0.55 . . . . 0.0 110.773 -175.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 724' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' B' ' 720' ' ' GLU . 87.1 tttt -88.81 136.58 32.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.011 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -111.56 87.05 2.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.131 0.491 . . . . 0.0 110.145 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -127.25 107.87 10.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.2 mt -92.42 105.62 17.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.268 0.556 . . . . 0.0 110.486 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -96.25 -65.27 0.98 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.321 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.264 176.698 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.228 0.537 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -104.57 114.19 28.25 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.365 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.07 -46.49 4.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.892 0.377 . . . . 0.0 110.744 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 67.2 tp -84.25 134.76 34.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.571 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.97 151.61 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.4 p -72.96 157.95 36.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.081 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.76 -24.37 65.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.878 0.371 . . . . 0.0 110.421 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.72 -55.04 39.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.321 0.581 . . . . 0.0 110.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.17 -44.48 83.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.976 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.653 HG12 ' HD1' ' B' ' 674' ' ' TYR . 67.4 mt -60.29 -51.7 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.492 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 48.2 ttm -65.08 -37.09 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.831 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.5 -42.39 92.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 3.1 t70 -59.34 -51.32 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.512 HD21 ' HD2' ' B' ' 677' ' ' LYS . 11.1 mp -56.87 -45.16 82.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.687 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 217' ' ' MET . 63.7 mtp180 -56.6 -46.39 80.9 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.928 0.394 . . . . 0.0 110.231 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -45.31 81.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.256 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 96.7 mt -56.38 -47.53 78.75 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 111.912 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.723 -173.848 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.526 0.679 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.11 -42.39 98.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.588 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -56.72 -46.01 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.41 ' O ' HG12 ' B' ' 623' ' ' VAL . 13.0 tp10 -60.47 -46.91 88.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.579 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.5 ' HA ' HG12 ' B' ' 623' ' ' VAL . 4.4 mm? -71.92 -46.02 59.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 111.307 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.46 -46.14 80.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.853 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.2 t -71.0 -47.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.711 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' B' ' 620' ' ' LEU . 12.8 p -66.11 -35.14 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.413 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 2.9 mm? -69.88 -42.84 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.597 0.237 . . . . 0.0 110.66 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.66 -44.57 96.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.134 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.512 HG22 ' HB2' ' B' ' 669' ' ' ALA . 64.2 m -60.74 -42.62 97.71 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.206 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.555 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.72 -56.15 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.401 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.28 -40.94 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.511 0.507 . . . . 0.0 112.038 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.254 0.549 . . . . 0.0 110.646 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.505 ' HA ' HG12 ' B' ' 633' ' ' VAL . 30.9 m -73.31 -33.82 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 627' ' ' ASN . 40.8 mm -58.68 -49.87 81.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 109.915 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -57.36 -55.28 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' B' ' 630' ' ' THR . 8.8 p -64.27 -40.58 89.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.477 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.0 mt -69.48 -44.04 71.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.24 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.425 ' CD ' HD21 ' B' ' 697' ' ' LEU . 7.9 mm-40 -61.93 -34.37 75.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.789 0.328 . . . . 0.0 110.772 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.97 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 36.5 mm -64.29 -45.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 638' ' ' GLN . . . . . 0.557 ' HA ' HD12 ' B' ' 641' ' ' LEU . 23.4 tm0? -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.658 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -39.6 76.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.918 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.77 -28.84 67.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' B' ' 638' ' ' GLN . 96.6 mt -68.03 -60.06 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 42.3 p 48.2 36.55 6.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.108 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 66.41 91.23 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.78 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.9 mt -96.44 160.76 14.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.138 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.0 m -73.77 172.16 12.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.74 80.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.1 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 47.0 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.61 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.528 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 50.5 mt-30 -74.65 -22.72 58.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.188 0.518 . . . . 0.0 109.993 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.15 -43.31 29.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.934 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.26 -62.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.584 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.84 95.77 8.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 40.9 ttm180 -133.58 154.78 50.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.768 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.31 82.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.121 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -90.96 -51.36 5.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.814 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -116.53 -1.43 12.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.542 0.686 . . . . 0.0 109.255 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 657' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 0.7 OUTLIER -79.63 137.72 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.539 -176.281 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 657' ' ' THR . 9.7 mp . . . . . 0 N--CA 1.467 0.388 0 O-C-N 123.788 0.68 . . . . 0.0 110.709 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.7 p . . . . . 0 C--O 1.237 0.401 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.96 -39.12 90.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.904 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.08 -33.38 42.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.437 HG23 HG23 ' B' ' 626' ' ' THR . 54.6 mt -61.88 -50.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.249 0.547 . . . . 0.0 110.755 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -79.21 -34.61 42.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.663 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 44.0 ttt180 -62.46 -49.63 74.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.213 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.39 -45.57 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.912 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.512 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.613 HD12 HD11 ' B' ' 673' ' ' ILE . 11.5 tp -75.47 -35.36 60.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.36 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 51.7 mt-30 -68.98 -23.54 64.13 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -73.0 -35.21 66.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.116 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.613 HD11 HD12 ' B' ' 670' ' ' LEU . 25.2 pt -92.97 -36.21 7.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.671 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.653 ' HD1' HG12 ' A' ' 216' ' ' ILE . 27.5 m-85 -116.53 40.07 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.982 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.12 -54.93 0.5 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.46 -34.35 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.512 ' HD2' HD21 ' A' ' 220' ' ' LEU . 71.7 mmtt -116.46 29.07 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.54 -172.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.94 90.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.19 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.66 -38.38 90.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 677' ' ' LYS . 30.8 mm -75.79 -41.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.354 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' B' ' 686' ' ' ARG . 31.1 mm -59.08 -46.18 92.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.52 -41.62 85.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.692 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.16 96.56 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.106 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.671 HD21 HG21 ' B' ' 696' ' ' VAL . 88.8 mt -67.31 -32.32 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.111 0.481 . . . . 0.0 110.881 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.459 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 13.6 mmm180 -87.81 11.41 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.98 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' B' ' 687' ' ' LYS . 33.6 ttpt -137.76 -62.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.933 0.396 . . . . 0.0 111.196 -172.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -123.16 84.21 51.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.226 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 44.4 Cg_endo -67.0 -41.2 10.32 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.32 2.013 . . . . 0.0 112.752 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 70.7 m -75.57 -5.26 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.157 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 42.5 mt -101.45 -60.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.342 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -72.52 -50.42 25.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.557 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 73.6 t -52.35 -51.94 67.7 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 58.8 Cg_exo -53.71 -42.94 62.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.762 1.641 . . . . 0.0 112.52 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.61 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 36.7 mt -70.97 -55.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.671 HG21 HD21 ' B' ' 685' ' ' LEU . 31.4 m -58.74 -37.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' B' ' 701' ' ' LYS . 49.7 tp -64.87 -43.82 91.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.635 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -63.14 -38.74 92.39 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.603 0.239 . . . . 0.0 111.006 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 29.2 mmt180 -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.648 0.737 . . . . 0.0 109.143 174.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.08 -33.27 71.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.614 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 2.8 mmmp? -73.04 -41.17 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.136 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 702' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 699' ' ' ARG . 25.1 ptt? -66.33 -37.0 84.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' B' ' 703' ' ' LYS . 37.5 tptt -71.02 -33.96 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.621 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 24.9 tt0 -56.48 -51.44 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.663 175.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.3 tt0 -63.79 -38.06 89.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.95 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.17 -43.03 93.04 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.833 0.349 . . . . 0.0 110.755 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -63.82 -38.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 0.3 OUTLIER -60.69 -41.05 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 176.533 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.6 mm-40 -58.83 -44.49 90.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.984 0.421 . . . . 0.0 110.431 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.77 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.512 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 31.0 tt0 -64.3 -32.98 74.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.326 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.619 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 33.0 mmt180 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.411 . . . . 0.0 110.094 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -69.89 -47.79 45.14 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.048 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.54 -65.0 1.06 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.512 ' HB2' ' HG2' ' B' ' 711' ' ' GLN . 4.4 m120 -67.76 -47.17 69.95 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.619 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 8.2 tmtt? . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.631 -174.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -84.9 -16.83 39.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.649 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 79.2 m-85 69.39 11.89 8.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.463 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 74.7 mt -110.2 174.94 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 18.2 tp -113.21 151.31 31.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.7 p -66.06 133.28 50.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.962 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.462 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.31 -48.86 80.04 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.38 -41.96 88.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 84.5 mt -55.48 -52.03 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.29 0.566 . . . . 0.0 110.517 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.28 -30.93 71.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.611 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 218' ' ' GLU . . . . . 0.584 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 34.6 tt0 -65.66 -41.27 92.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.128 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 82.0 m-20 -64.28 -46.13 85.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.51 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 223' ' ' LEU . 6.2 mp -55.12 -48.69 73.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 110.886 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.584 ' HE ' ' HA ' ' A' ' 218' ' ' GLU . 63.4 mtm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.3 m -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.389 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 87.7 mt -60.05 -23.07 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.173 -177.671 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 616' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 7.1 tp10 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -42.92 83.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.273 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG23 ' B' ' 622' ' ' VAL . 86.5 t80 -57.86 -43.82 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.376 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.68 -30.7 69.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.652 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 65.3 mt -60.62 -48.82 80.08 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.688 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.88 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.045 0.45 . . . . 0.0 110.343 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 622' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 618' ' ' PHE . 69.0 t -62.87 -51.18 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.771 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.476 HG13 HD22 ' B' ' 624' ' ' LEU . 14.1 p -64.02 -39.58 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.5 HD12 ' NE ' ' B' ' 708' ' ' ARG . 2.2 mm? -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.683 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.05 -41.66 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.261 0.553 . . . . 0.0 110.464 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.696 HG23 ' HB ' ' B' ' 665' ' ' ILE . 77.2 m -67.17 -46.08 75.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.194 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.514 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.0 t30 -66.52 -45.48 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.605 ' HB2' HH21 ' B' ' 708' ' ' ARG . 2.8 tm? -60.26 -40.44 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.35 84.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.336 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.547 HG22 HD23 ' B' ' 634' ' ' LEU . 18.9 m -68.97 -38.51 79.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.47 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.522 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 46.1 mm -53.52 -53.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.351 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -64.51 -39.05 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.172 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.582 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.4 p -72.2 -35.39 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.554 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.801 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.7 mm? -65.3 -43.46 91.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.449 0.166 . . . . 0.0 110.753 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 631' ' ' ILE . 45.5 mt-10 -58.78 -38.41 78.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.188 0.518 . . . . 0.0 110.147 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.66 -41.07 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.576 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.3 mm -64.67 -46.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.123 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.29 -39.89 73.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.633 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 639' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' B' ' 639' ' ' LYS . 53.3 mmtt -67.23 -46.57 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.368 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -67.27 -30.66 70.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.19 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 92.9 mt -68.43 -43.14 77.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.768 176.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 56.25 19.71 4.09 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.697 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 48.59 54.59 10.32 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.402 0.62 . . . . 0.0 111.761 -172.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' B' ' 641' ' ' LEU . 51.1 mt -65.15 175.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.051 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 10.6 t -77.79 172.17 13.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.56 79.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -65.44 -31.02 71.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.371 0.605 . . . . 0.0 109.737 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 43.5 mt-10 -78.53 -31.9 47.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.851 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.54 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 79.7 mm-40 -67.85 -30.71 70.15 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.241 0.544 . . . . 0.0 110.175 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.23 -33.52 61.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.3 -59.42 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -90.85 90.83 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.8 ttp180 -111.55 149.38 31.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.474 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.785 HD23 HD21 ' B' ' 658' ' ' LEU . 5.5 mp -75.75 60.29 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.263 0.554 . . . . 0.0 109.986 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.32 -59.39 2.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.959 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -131.73 23.84 4.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.112 0.958 . . . . 0.0 108.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 -14.4 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.9 -172.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.785 HD21 HD23 ' B' ' 654' ' ' LEU . 85.0 mt . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 663' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' B' ' 667' ' ' ARG . 42.6 tt0 -77.02 -23.34 52.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.714 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.07 -46.3 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.696 ' HB ' HG23 ' B' ' 626' ' ' THR . 18.9 pt -71.32 -41.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.631 0.253 . . . . 0.0 111.461 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 666' ' ' HIS . . . . . 0.424 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.6 m170 -68.96 -47.12 66.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.766 0.793 . . . . 0.0 109.801 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.536 ' HB2' ' HG2' ' B' ' 663' ' ' GLU . 21.1 ttt180 -65.64 -36.44 83.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.531 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.56 -47.1 67.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 110.675 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.501 HD11 HG22 ' B' ' 696' ' ' VAL . 18.6 tp -66.97 -37.06 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.446 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 50.5 mt-30 -72.22 -24.17 61.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.83 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.424 ' HE ' ' HB3' ' A' ' 209' ' ' TYR . 31.5 ttt180 -68.09 -46.52 70.75 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.334 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.733 HG21 ' HG2' ' B' ' 703' ' ' LYS . 27.3 pt -75.77 -38.6 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.221 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.493 ' CD1' HG13 ' B' ' 681' ' ' ILE . 63.0 m-85 -92.73 27.89 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.812 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.94 2.03 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.593 0.961 . . . . 0.0 113.593 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.37 -38.71 65.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.59 45.99 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.967 -170.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.446 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -71.91 -26.45 62.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.237 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.07 66.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.794 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.69 -34.67 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.127 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.493 HG13 ' CD1' ' B' ' 674' ' ' TYR . 23.0 mm -70.38 -45.88 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.501 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.439 HD13 HD23 ' B' ' 670' ' ' LEU . 46.6 mm -58.54 -40.4 78.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.49 -36.51 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.751 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.23 -37.39 91.75 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.384 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.525 HD21 HG11 ' B' ' 696' ' ' VAL . 92.3 mt -57.51 -30.71 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.627 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 10.9 mpt_? -86.69 -12.94 46.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.676 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.83 -44.69 5.7 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.836 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -148.49 94.14 4.22 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 110.269 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.588 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 42.7 Cg_endo -69.2 -21.0 36.71 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.859 2.373 . . . . 0.0 112.514 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 16.2 t -69.56 -27.12 64.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.262 0.553 . . . . 0.0 110.026 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' A' ' 223' ' ' LEU . 57.2 mt -93.53 -63.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.936 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.04 89.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.678 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 83.4 t -56.2 -57.19 24.09 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.4 Cg_exo -56.02 -43.43 56.79 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.949 1.766 . . . . 0.0 112.542 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.09 -55.41 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.177 0.513 . . . . 0.0 110.686 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.525 HG11 HD21 ' B' ' 685' ' ' LEU . 1.5 p -65.93 -34.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.704 -173.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' B' ' 634' ' ' LEU . 39.9 tp -69.12 -36.46 77.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.507 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -72.03 -38.56 69.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -62.77 -42.08 99.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.355 0.598 . . . . 0.0 109.577 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.522 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 23.1 tp -67.25 -35.23 79.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.84 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -47.57 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.948 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 45.2 ttp -59.01 -43.72 91.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.705 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.733 ' HG2' HG21 ' B' ' 673' ' ' ILE . 39.7 tptt -69.96 -37.09 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.427 -178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -55.85 -51.58 67.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.882 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 45.1 mt-10 -59.77 -43.11 94.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.95 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.88 -52.25 66.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.974 0.416 . . . . 0.0 110.314 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.649 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 1.9 m0 -63.18 -34.72 78.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.367 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.605 HH21 ' HB2' ' B' ' 628' ' ' LEU . 30.6 mmt180 -68.56 -33.11 73.51 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.132 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 45.2 mt-10 -81.28 -30.0 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.681 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.24 69.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.616 ' HG3' ' HB3' ' B' ' 715' ' ' ASN . 58.1 tt0 -62.14 -39.24 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.62 174.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 77.2 ttt180 -50.82 -50.7 55.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.677 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -72.6 -45.44 36.09 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.421 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -89.86 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.616 ' HB3' ' HG3' ' B' ' 711' ' ' GLN . 24.8 t-20 -75.79 -49.4 18.19 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -168.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -175.939 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 710' ' ' ALA . 76.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.99 91.15 3.55 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -66.4 -26.6 67.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.626 -177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.436 HD13 ' O ' ' B' ' 672' ' ' ARG . 4.6 mm? -88.0 168.63 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.904 175.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.703 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 30.5 tp -108.35 146.88 32.33 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 22.4 m -64.8 131.68 47.46 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.848 0.356 . . . . 0.0 110.782 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.65 -43.46 84.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.845 -172.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -68.18 -39.48 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.062 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.503 HG12 HD23 ' A' ' 211' ' ' LEU . 74.2 mt -61.99 -47.79 91.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.369 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 53.2 mtt -59.9 -38.71 83.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.282 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.63 -46.66 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.248 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 81.9 m-20 -62.16 -50.11 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.472 HD21 ' HD2' ' B' ' 677' ' ' LYS . 10.7 mp -55.62 -50.5 70.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.066 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 221' ' ' ARG . 30.7 mtm180 -63.31 -29.71 70.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 61.8 m -71.48 -46.38 59.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.316 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.6 mt -55.97 -49.48 73.46 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.887 -174.585 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -75.72 -34.43 60.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.734 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 618' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 622' ' ' VAL . 75.3 t80 -63.83 -47.25 81.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.77 -31.07 71.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.043 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.515 ' HA ' HG12 ' B' ' 623' ' ' VAL . 29.9 tp -66.69 -43.93 83.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 109.961 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.19 -42.88 99.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.935 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 622' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 618' ' ' PHE . 74.8 t -63.92 -50.97 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.274 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.9 p -64.71 -34.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 C-N-CA 121.321 -0.152 . . . . 0.0 111.111 -176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' B' ' 707' ' ' TRP . 2.6 mm? -67.23 -40.12 86.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.517 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.91 -44.95 72.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.78 0.324 . . . . 0.0 110.449 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.565 HG22 ' HB2' ' B' ' 669' ' ' ALA . 89.8 m -58.15 -44.77 88.05 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.326 0.584 . . . . 0.0 110.096 175.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.43 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.8 t-20 -63.18 -54.48 36.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.922 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 2.4 mm? -53.47 -45.3 69.53 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.338 0.399 . . . . 0.0 111.365 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.48 82.72 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.737 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.485 ' HA ' HG12 ' B' ' 633' ' ' VAL . 58.4 m -70.8 -40.51 72.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.161 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.536 HD12 ' HD2' ' B' ' 701' ' ' LYS . 32.5 mm -51.77 -51.15 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 172.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.49 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 2.1 mmp_? -57.16 -50.7 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.585 -178.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' B' ' 630' ' ' THR . 9.0 p -68.5 -36.16 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.063 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.923 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.1 mm? -60.23 -51.81 67.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 177.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.46 -36.26 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 636' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' B' ' 640' ' ' LYS . . . -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.742 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 32.8 mm -69.62 -40.72 79.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.861 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -34.95 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -65.92 -44.12 86.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.052 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 640' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 636' ' ' ALA . 14.4 mmmm -62.76 -38.1 89.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.454 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.1 mt -66.68 -68.75 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.282 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.2 m 55.4 34.0 22.05 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 61.64 80.83 0.21 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.051 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.4 157.47 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.522 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 69.4 p -76.85 175.74 9.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.76 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.21 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.462 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.15 -29.8 57.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.49 -24.5 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.83 -26.34 44.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.15 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.248 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -106.35 105.59 15.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.734 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 33.9 ttm180 -134.95 159.72 40.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.635 ' HA ' ' OG1' ' B' ' 657' ' ' THR . 8.7 mp -76.18 27.74 0.12 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -172.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -83.22 -22.86 33.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 110.278 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -120.85 8.13 10.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.655 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 657' ' ' THR . . . . . 0.635 ' OG1' ' HA ' ' B' ' 654' ' ' LEU . 0.1 OUTLIER -109.17 -167.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.628 -175.185 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.469 0.506 0 C-N-CA 124.105 0.962 . . . . 0.0 111.199 -177.781 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 663' ' ' GLU . . . . . 0.608 ' O ' ' HD3' ' B' ' 667' ' ' ARG . 0.5 OUTLIER -64.7 -40.4 95.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.653 -177.308 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.69 -37.84 54.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.715 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.61 -43.22 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.718 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -73.6 -38.11 65.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.133 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' B' ' 663' ' ' GLU . 9.6 mpt_? -61.32 -46.29 90.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.244 174.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -64.22 -39.04 93.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.24 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.565 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.79 -42.38 99.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.25 -41.9 76.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.92 -23.39 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.573 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' B' ' 672' ' ' ARG . 4.8 tpm_? -56.47 -47.26 79.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.701 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 211' ' ' LEU . 11.6 pt -104.96 -41.91 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.999 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.82 32.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.325 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.27 -59.46 0.3 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -94.18 -1.09 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.472 ' HD2' HD21 ' A' ' 220' ' ' LEU . 45.7 mmtm -129.88 21.26 5.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.3 93.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.29 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.52 -40.95 80.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.04 -48.03 76.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' B' ' 685' ' ' LEU . 93.3 mt -63.65 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.71 -42.19 88.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.972 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -66.5 -40.16 94.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.489 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.607 HD21 HG21 ' B' ' 696' ' ' VAL . 95.9 mt -59.27 -40.66 86.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.431 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 79.4 mtp180 -89.28 17.52 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.133 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -126.12 -56.24 1.45 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.886 0.374 . . . . 0.0 110.197 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.43 ' HB3' HG12 ' B' ' 691' ' ' ILE . 84.5 m-20 -132.19 92.96 27.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.094 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.35 -31.13 22.98 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.568 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 77.5 p -71.68 -16.37 62.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.248 0.547 . . . . 0.0 110.178 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' B' ' 688' ' ' ASN . 37.4 mm -98.68 -63.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.113 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -70.52 -49.11 51.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.555 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.559 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 88.6 t -54.45 -51.21 80.17 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.559 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.1 Cg_exo -54.53 -45.67 39.18 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.654 1.57 . . . . 0.0 112.027 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 75.8 mt -64.33 -52.19 58.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.607 HG21 HD21 ' B' ' 685' ' ' LEU . 29.5 m -65.03 -38.82 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.388 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' B' ' 634' ' ' LEU . 46.1 tp -61.67 -40.61 95.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 698' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 54.1 mtpt -68.65 -42.51 77.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.816 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.438 ' HE ' ' CG ' ' A' ' 219' ' ' ASP . 21.7 mmt180 -58.98 -47.52 84.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.392 0.615 . . . . 0.0 110.022 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' B' ' 631' ' ' ILE . 34.0 tp -66.12 -31.26 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.82 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.536 ' HD2' HD12 ' B' ' 631' ' ' ILE . 9.3 tptp -76.09 -40.36 53.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.173 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 702' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' B' ' 705' ' ' GLU . 0.0 OUTLIER -73.2 -31.71 64.36 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.351 0.596 . . . . 0.0 109.837 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.484 ' HG2' HG21 ' B' ' 673' ' ' ILE . 12.1 tptp -69.56 -33.83 73.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 34.7 tt0 -61.13 -42.06 97.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' B' ' 702' ' ' MET . 52.6 mt-10 -51.26 -50.15 59.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.453 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -57.63 -49.59 75.93 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.435 ' HB3' HD21 ' B' ' 624' ' ' LEU . 8.5 m0 -64.54 -30.41 71.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.546 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 26.3 mmt180 -69.18 -33.78 73.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 17.2 mm-40 -64.49 -43.62 93.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.142 0.496 . . . . 0.0 109.732 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 710' ' ' ALA . . . . . 0.543 ' HB2' HD21 ' A' ' 207' ' ' LEU . . . -67.12 -48.23 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.859 176.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.47 -39.91 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.026 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.618 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 22.2 tpt180 -61.38 -53.69 53.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.578 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.44 93.68 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.298 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.62 -66.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.945 0.372 . . . . 0.0 111.949 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.93 -55.24 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 111.74 -169.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.618 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 23.1 tptp . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.871 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' B' ' 710' ' ' ALA . 1.7 pt? . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -120.4 114.77 22.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.415 0.626 . . . . 0.0 111.239 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.501 ' HE2' HG11 ' B' ' 623' ' ' VAL . 96.5 m-85 -72.38 -39.98 67.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 63.3 tp -90.4 150.31 21.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.427 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.4 HD12 ' CE1' ' B' ' 674' ' ' TYR . 62.9 mt -96.62 158.65 15.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 11.1 p -73.92 162.66 28.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.889 -0.142 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.34 -48.89 36.02 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.591 0.557 . . . . 0.0 110.784 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 214' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 218' ' ' GLU . 37.4 tt0 -52.71 -40.37 62.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.38 -41.41 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.532 HG13 ' HD1' ' B' ' 674' ' ' TYR . 1.8 mp -60.15 -50.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.985 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.566 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 1.1 mpt? -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 218' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 214' ' ' GLU . 2.4 tp10 -60.77 -37.45 81.9 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.211 0.529 . . . . 0.0 110.426 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 223' ' ' LEU . 11.2 mp -60.28 -38.88 84.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.045 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 217' ' ' MET . 32.5 mmt180 -55.54 -49.26 73.12 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.281 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 35.7 m -61.88 -37.8 85.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.008 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.461 HD23 HG22 ' B' ' 691' ' ' ILE . 77.1 mt -60.17 -31.89 70.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.323 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.354 -178.097 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 616' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 5.9 tp10 . . . . . 0 C--O 1.225 -0.22 0 CA-C-O 121.279 0.561 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -56.17 -51.88 66.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.766 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.89 -42.37 98.99 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.437 ' O ' HG12 ' B' ' 623' ' ' VAL . 11.2 tp10 -62.48 -35.01 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.239 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 42.8 mt -66.01 -43.65 87.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.752 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.03 -51.38 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.717 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.501 HG11 ' HE2' ' A' ' 209' ' ' TYR . 14.4 p -64.61 -35.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.364 -0.135 . . . . 0.0 111.208 -176.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -67.32 -41.77 84.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.691 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.59 -43.87 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.023 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.476 HG23 ' HB ' ' B' ' 665' ' ' ILE . 86.0 m -58.39 -42.17 86.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.526 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.523 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -58.39 -59.95 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.018 175.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.66 -35.75 63.87 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.656 0.598 . . . . 0.0 111.973 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 629' ' ' ALA . . . . . 0.637 ' HA ' HH21 ' B' ' 632' ' ' ARG . . . -58.75 -58.67 7.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.419 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' B' ' 634' ' ' LEU . 13.3 m -65.86 -29.89 70.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.982 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.658 HD13 ' HB3' ' B' ' 700' ' ' LEU . 23.8 mm -55.08 -55.68 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.061 0.458 . . . . 0.0 110.478 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.637 HH21 ' HA ' ' B' ' 629' ' ' ALA . 68.5 mtm180 -63.49 -37.24 86.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.167 -176.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 629' ' ' ALA . 16.3 t -63.98 -50.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 0.0 110.203 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.673 HD13 HG13 ' B' ' 693' ' ' VAL . 0.2 OUTLIER -62.2 -45.1 94.89 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.411 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.425 ' HG2' HD21 ' B' ' 697' ' ' LEU . 38.7 mt-10 -63.24 -38.65 92.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.713 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.44 83.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.68 HG21 HD21 ' B' ' 654' ' ' LEU . 45.2 mm -64.37 -46.32 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.59 -37.05 74.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.146 0.498 . . . . 0.0 110.647 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.98 -35.77 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.848 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.42 -25.48 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 689' ' ' PRO . 64.3 mt -75.98 -70.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 23.3 t 53.67 42.3 31.88 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.999 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 71.14 96.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.316 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 66.7 mt -109.21 155.09 21.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.972 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 13.9 m -71.32 167.83 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.68 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.06 75.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 0.0 111.539 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.39 -31.48 72.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.194 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 31.7 mt-10 -79.76 -22.26 43.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' B' ' 690' ' ' SER . 66.5 mt-30 -70.02 -32.84 71.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 172.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -77.44 -27.17 52.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.232 171.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 651' ' ' LYS . . . . . 0.502 ' HB3' ' HA ' ' B' ' 648' ' ' GLU . 36.1 ttmt -66.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.262 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -103.2 98.4 8.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.616 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.703 ' HG3' ' HD3' ' B' ' 689' ' ' PRO . 38.5 ttp-105 -125.66 161.07 28.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.418 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.68 HD21 HG21 ' B' ' 637' ' ' ILE . 64.5 mt -74.32 82.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.352 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.48 -62.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -144.78 9.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.071 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.9 m -66.85 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.215 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.613 HD13 HD22 ' B' ' 654' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.127 0.489 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 663' ' ' GLU . . . . . 0.613 ' OE2' ' HB2' ' B' ' 667' ' ' ARG . 3.5 tm-20 -85.19 -35.25 21.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -173.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.9 p -49.19 -45.07 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.476 ' HB ' HG23 ' B' ' 626' ' ' THR . 17.2 pt -62.18 -30.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.877 0.37 . . . . 0.0 111.914 -177.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 666' ' ' HIS . . . . . 0.489 ' CE1' HG21 ' B' ' 633' ' ' VAL . 51.8 m-70 -79.1 -47.28 16.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.613 ' HB2' ' OE2' ' B' ' 663' ' ' GLU . 11.6 ttm180 -63.29 -38.84 92.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.894 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.78 -44.41 96.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.58 -43.93 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.682 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.91 -39.4 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 48.6 mt-30 -68.83 -23.63 64.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.366 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -83.45 -31.85 26.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.662 0.267 . . . . 0.0 110.968 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.5 pt -90.46 -34.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.586 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.532 ' HD1' HG13 ' A' ' 216' ' ' ILE . 30.8 m-85 -117.78 36.11 4.44 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.879 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 675' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -34.0 -44.34 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.46 -31.74 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -139.71 36.39 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.515 0.674 . . . . 0.0 110.395 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.538 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -65.3 -34.15 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.273 -177.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.42 -29.32 68.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.445 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.27 -43.27 70.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.125 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 33.6 mm -67.6 -33.33 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.114 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.4 mm -56.36 -47.03 81.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.34 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.68 -37.73 65.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.28 91.78 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.936 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.686 HD21 HG21 ' B' ' 696' ' ' VAL . 47.4 mt -59.16 -38.8 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 111.154 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -92.61 12.9 21.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.503 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.595 ' HB2' ' HZ3' ' B' ' 687' ' ' LYS . 0.3 OUTLIER -115.29 -46.62 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.583 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -145.98 97.67 4.49 Favored Pre-proline 0 N--CA 1.45 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.703 ' HD3' ' HG3' ' B' ' 653' ' ' ARG . 47.6 Cg_endo -68.29 -37.42 13.95 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.836 2.357 . . . . 0.0 112.948 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 690' ' ' SER . . . . . 0.441 ' CB ' ' HG2' ' B' ' 649' ' ' GLN . 15.6 t -72.19 -10.53 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.256 -0.278 . . . . 0.0 111.188 -174.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.461 HG22 HD23 ' A' ' 223' ' ' LEU . 36.8 mt -102.65 -57.75 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.984 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.615 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.51 -45.17 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.673 HG13 HD13 ' B' ' 634' ' ' LEU . 52.9 t -54.32 -50.87 82.44 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.54 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 78.2 Cg_exo -52.01 -41.35 64.64 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.076 1.851 . . . . 0.0 112.58 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 23.7 mt -67.13 -56.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.147 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.686 HG21 HD21 ' B' ' 685' ' ' LEU . 3.2 m -63.5 -30.03 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.901 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' B' ' 634' ' ' LEU . 3.3 tm? -59.43 -50.04 75.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -63.42 -39.58 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.394 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 19.7 mmt180 -62.29 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.595 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' B' ' 631' ' ' ILE . 20.8 mt -63.95 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.413 ' HE2' HG23 ' B' ' 631' ' ' ILE . 28.9 mmtp -72.95 -38.11 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.574 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.24 -47.25 81.84 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 109.701 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 21.4 mmtp -69.44 -30.62 68.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.535 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 31.9 tt0 -60.19 -50.99 71.5 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -52.36 30.38 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 175.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -60.98 -49.97 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.465 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.6 m0 -69.29 -20.63 63.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.938 -177.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 15.7 mmt180 -74.35 -36.18 63.61 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.2 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.03 -34.44 77.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.184 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 710' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 207' ' ' LEU . . . -71.88 -48.21 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -60.56 -54.61 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.774 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 21.6 mtm180 -73.27 -16.39 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.189 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.73 -57.45 2.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.287 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -90.92 -64.64 1.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.42 -52.59 60.87 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -168.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.774 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 15.2 tppt? . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.49 HD11 ' HB1' ' B' ' 710' ' ' ALA . 90.4 mt . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.904 0.383 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 208' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 209' ' ' TYR . 66.3 t30 -101.25 -47.45 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.702 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 208' ' ' ASN . 79.9 m-85 70.13 161.53 0.22 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.93 0.769 . . . . 0.0 111.305 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 38.4 tp 65.24 167.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.426 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 210' ' ' LEU . 87.7 mt -105.91 150.18 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 37.1 p -75.67 165.18 25.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.835 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.85 -37.46 71.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.373 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.7 -50.49 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.663 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -60.01 -48.59 81.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.826 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.17 -50.04 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.13 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 35.6 tpp -66.05 -30.44 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.261 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 218' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 221' ' ' ARG . 7.6 tp10 -59.92 -46.5 89.16 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.873 175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -43.11 94.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.39 -43.5 88.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.986 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 217' ' ' MET . 55.6 mtm180 -65.25 -40.74 94.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.977 0.418 . . . . 0.0 110.142 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 222' ' ' THR . . . . . 0.469 HG22 HD13 ' B' ' 695' ' ' ILE . 26.1 m -62.93 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.181 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.482 HD23 HG22 ' B' ' 691' ' ' ILE . 75.6 mt -55.43 -39.19 69.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.331 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.394 -177.76 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.753 0.787 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -66.26 -44.13 84.51 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.623 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.17 -47.79 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.661 ' O ' HG23 ' B' ' 623' ' ' VAL . 37.8 tt0 -58.42 -43.89 88.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.511 ' O ' HD23 ' B' ' 624' ' ' LEU . 1.9 mm? -58.81 -51.98 67.66 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 -175.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.25 -36.52 81.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.282 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.43 -44.75 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.791 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 619' ' ' GLU . 91.8 t -57.73 -48.56 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.681 0.277 . . . . 0.0 110.35 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 620' ' ' LEU . 4.2 mm? -62.54 -44.06 97.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.016 -175.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.9 -44.5 89.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.073 0.463 . . . . 0.0 110.304 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 669' ' ' ALA . 42.4 m -61.45 -40.0 92.9 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.488 0.661 . . . . 0.0 110.187 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.526 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.07 -55.31 34.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.469 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -34.47 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.36 79.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.171 0.51 . . . . 0.0 110.377 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.458 ' HA ' HG12 ' B' ' 633' ' ' VAL . 20.1 m -69.67 -33.44 72.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.1 mm -59.07 -56.23 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -60.49 -40.37 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.121 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.56 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.5 p -68.58 -41.56 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.098 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 46.3 mt -67.73 -43.88 78.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.387 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.488 ' HA ' HD11 ' B' ' 697' ' ' LEU . 35.0 mt-10 -63.74 -34.47 77.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.361 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.1 84.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 0.0 110.268 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.678 HG21 HD21 ' B' ' 654' ' ' LEU . 46.2 mm -61.18 -51.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.19 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.18 -28.83 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.098 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -73.43 -33.8 65.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.307 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.61 -33.93 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.291 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' B' ' 689' ' ' PRO . 89.7 mt -69.37 -70.76 0.26 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 50.7 m 45.94 53.12 9.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.351 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 66.76 81.03 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.775 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.5 mt -104.78 155.75 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.607 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 15.2 m -79.76 164.31 23.78 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.33 -38.64 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 111.55 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.02 -45.02 91.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.315 0.579 . . . . 0.0 110.557 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.593 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 32.9 mt-10 -70.92 -31.57 68.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.461 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.596 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 78.4 mt-30 -73.18 -26.85 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.778 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.28 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.368 0.604 . . . . 0.0 109.381 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 651' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' B' ' 651' ' ' LYS . 35.8 ttpt -63.05 -49.48 74.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.674 176.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -124.15 98.98 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.046 0.45 . . . . 0.0 110.407 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 649' ' ' GLN . 28.4 ttm180 -127.08 158.46 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.887 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.678 HD21 HG21 ' B' ' 637' ' ' ILE . 53.4 mt -62.02 128.93 38.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.528 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.65 -81.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.531 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -86.46 -8.76 57.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.8 p -71.23 -37.36 72.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.168 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.015 -178.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.021 0.439 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.91 -48.23 54.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.3 p -52.98 -47.64 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.155 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.98 -34.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 111.552 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.72 -42.21 51.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.539 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -68.71 -39.87 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 668' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' B' ' 672' ' ' ARG . 22.4 ttmm -62.46 -50.17 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.234 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.439 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.14 -36.65 82.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' B' ' 670' ' ' LEU . 0.2 OUTLIER -65.08 -37.78 88.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -73.67 -23.69 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.279 -0.263 . . . . 0.0 111.123 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 668' ' ' LYS . 21.2 mmm180 -72.27 -6.75 45.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.748 0.309 . . . . 0.0 111.018 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.624 HG22 ' HG3' ' B' ' 703' ' ' LYS . 12.3 pt -125.19 -47.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -116.48 39.06 3.23 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 122.388 -0.195 . . . . 0.0 110.659 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.85 -60.11 0.32 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.25 -10.0 58.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -129.36 23.72 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.08 86.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -175.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.363 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.96 -47.99 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 109.982 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.48 -49.15 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.63 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.461 ' HA ' HD12 ' B' ' 685' ' ' LEU . 95.0 mt -62.51 -38.83 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.99 -32.63 67.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -64.77 -33.36 87.02 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.899 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' B' ' 682' ' ' ILE . 86.8 mt -60.91 -35.22 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.114 0.483 . . . . 0.0 110.144 173.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.447 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 46.5 mmm-85 -77.6 -32.54 53.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.899 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -64.9 -55.41 19.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -152.64 102.5 2.71 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.99 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' B' ' 641' ' ' LEU . 42.5 Cg_endo -67.52 -29.55 36.96 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.0 2.466 . . . . 0.0 113.407 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 88.5 p -72.59 -13.93 61.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.847 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.482 HG22 HD23 ' A' ' 223' ' ' LEU . 66.6 mt -99.8 -66.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.93 81.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.673 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.0 t -53.43 -56.08 28.12 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.673 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 48.0 Cg_exo -58.23 -41.83 62.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.042 1.828 . . . . 0.0 113.358 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.469 HD13 HG22 ' A' ' 222' ' ' THR . 26.9 mt -69.39 -51.01 46.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.424 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.84 -31.1 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.251 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 2.5 tt -65.7 -48.23 72.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.953 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 698' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 55.3 mttp -63.03 -38.71 92.28 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.84 -42.71 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.271 0.558 . . . . 0.0 109.923 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 53.1 tp -69.14 -31.85 70.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.617 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.498 ' HD2' HD12 ' B' ' 631' ' ' ILE . 8.3 tptp -70.55 -37.04 73.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.99 -41.39 91.93 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.552 0.691 . . . . 0.0 109.805 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.624 ' HG3' HG22 ' B' ' 673' ' ' ILE . 52.4 mmtt -73.0 -29.38 62.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.09 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.95 -47.11 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 38.5 mt-10 -54.71 -49.07 71.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.884 175.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.11 -55.97 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.337 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.9 m0 -65.98 -42.2 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.496 ' HA ' HD11 ' B' ' 624' ' ' LEU . 31.8 tpt180 -68.24 -38.08 81.46 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.659 -176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -68.33 -34.39 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 710' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 207' ' ' LEU . . . -63.44 -46.82 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.51 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 16.5 tt0 -65.08 -41.23 95.21 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 109.794 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.45 -49.01 77.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.408 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.78 -47.12 6.42 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.221 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -89.94 -65.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.205 0.502 . . . . 0.0 111.927 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.0 -58.03 9.94 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 54.2 tttm . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -175.245 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.173 0.511 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -87.02 -48.08 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.999 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.423 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 54.6 m-85 69.58 -71.43 0.12 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.895 0.747 . . . . 0.0 111.27 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.66 156.08 38.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.533 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 63.1 mt -97.13 132.01 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 169.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.8 m -65.81 156.67 32.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.411 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.45 -47.48 27.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -173.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -64.73 -25.89 68.13 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.02 -52.35 29.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' B' ' 677' ' ' LYS . 76.1 mt -59.01 -47.54 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.662 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.556 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 46.9 ttm -60.45 -41.67 94.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.851 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.65 -46.69 80.9 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.629 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 87.4 m-20 -60.38 -48.32 82.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.482 HD12 HD11 ' B' ' 681' ' ' ILE . 8.3 mp -55.56 -40.03 71.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.986 0.422 . . . . 0.0 111.321 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 217' ' ' MET . 2.7 mmp_? -79.27 -17.14 55.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 64.0 m -84.86 -40.34 17.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.285 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.1 mt -56.82 -43.11 80.69 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.244 0.545 . . . . 0.0 110.94 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 64.2 t30 . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.353 0.597 . . . . 0.0 110.928 -175.379 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.151 0.5 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.99 -42.67 97.12 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.529 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -52.5 -44.86 65.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.03 -46.51 87.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.97 -43.1 59.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.185 0.517 . . . . 0.0 111.82 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 621' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' B' ' 625' ' ' GLU . 5.7 t0 -63.22 -47.2 83.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.69 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.03 -45.27 91.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.556 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.441 HG13 HD22 ' B' ' 624' ' ' LEU . 14.5 p -61.79 -38.95 81.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.023 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -66.54 -46.76 75.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.266 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 625' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 621' ' ' ASP . 43.7 mm-40 -62.67 -45.87 90.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.257 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.587 HG22 ' HB2' ' B' ' 669' ' ' ALA . 25.1 m -60.68 -40.15 91.06 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.32 0.581 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.57 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -59.54 -55.78 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.267 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.494 HD23 HH21 ' B' ' 708' ' ' ARG . 1.0 OUTLIER -58.56 -42.97 89.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.971 -175.445 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.04 92.4 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 110.768 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 32.0 m -69.07 -35.7 76.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.656 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.4 mm -56.96 -49.28 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -53.6 -55.75 23.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.534 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.689 ' O ' HG12 ' B' ' 637' ' ' ILE . 13.4 p -65.1 -38.62 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.174 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.881 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.1 mm? -62.3 -48.57 79.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.59 0.233 . . . . 0.0 111.492 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.66 -32.54 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.291 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.56 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.673 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.689 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.4 mm -63.82 -52.89 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.84 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.44 -34.1 72.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.53 -49.01 78.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.702 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.72 -38.5 83.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -61.82 -60.15 4.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.933 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 48.9 m 58.7 23.37 11.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.842 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 643' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 643' ' ' ARG . 32.4 mtp-105 67.57 91.73 0.09 Allowed 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.791 0.682 . . . . 0.0 110.972 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.62 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 93.1 mt -101.39 164.94 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 15.3 t -74.49 167.48 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.092 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.57 -50.12 63.6 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.84 -33.93 75.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.616 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.62 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 49.2 mt-10 -74.19 -32.76 63.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.95 -25.4 63.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.332 0.586 . . . . 0.0 110.655 176.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.95 -33.04 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.32 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 651' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 4.4 tmmm? -73.42 -59.17 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.006 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.77 97.68 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 24.0 ttm180 -122.19 159.84 26.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.658 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.582 ' HG ' HD12 ' B' ' 658' ' ' LEU . 2.3 mm? -82.72 85.87 6.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.263 0.554 . . . . 0.0 111.237 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -114.33 -27.88 7.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.623 172.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -83.18 -3.24 57.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.637 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 15.3 t -159.16 171.21 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.435 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.582 HD12 ' HG ' ' B' ' 654' ' ' LEU . 72.1 mt . . . . . 0 N--CA 1.469 0.505 0 O-C-N 123.647 0.592 . . . . 0.0 110.653 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.461 0.112 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.44 -25.78 57.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.257 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.65 -48.6 59.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.64 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.5 pt -70.34 -32.83 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.425 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.03 -42.15 27.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.018 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.653 ' HG3' HD13 ' B' ' 682' ' ' ILE . 56.8 ttm-85 -65.27 -42.62 93.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -65.54 -38.53 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.587 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -65.78 -40.07 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.469 HD12 HG12 ' B' ' 682' ' ' ILE . 85.6 mt -71.89 -35.56 69.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -70.78 -24.31 62.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.75 0.31 . . . . 0.0 110.749 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -65.43 -36.99 85.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.852 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.559 HG21 ' HG3' ' B' ' 703' ' ' LYS . 17.7 pt -101.24 -34.25 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.983 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.423 ' CD2' HG13 ' B' ' 673' ' ' ILE . 81.3 m-85 -105.38 32.28 4.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.13 -40.22 0.2 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.08 -49.65 9.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 216' ' ' ILE . 74.5 mmtt -118.88 33.52 5.61 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.68 70.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.674 0.273 . . . . 0.0 111.492 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -54.4 -37.89 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.358 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -86.47 -29.7 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.108 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 220' ' ' LEU . 45.0 mm -70.79 -45.21 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.012 0.435 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.653 HD13 ' HG3' ' B' ' 667' ' ' ARG . 91.9 mt -64.51 -44.2 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.094 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.75 -33.78 75.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.01 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.09 43.67 Favored Glycine 0 C--N 1.333 0.405 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.902 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.39 -34.11 76.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.38 . . . . 0.0 111.362 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 58.2 mtp180 -98.95 17.06 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.418 ' HG2' ' OD1' ' B' ' 688' ' ' ASN . 32.5 ttpt -128.79 -53.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.455 ' HB3' ' HB ' ' B' ' 691' ' ' ILE . 19.8 m120 -128.82 83.48 66.06 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.736 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.561 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 35.6 Cg_endo -64.96 -39.28 25.27 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.181 1.921 . . . . 0.0 113.382 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 7.6 t -79.56 0.85 28.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.209 0.528 . . . . 0.0 110.342 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' B' ' 688' ' ' ASN . 63.1 mt -111.74 -61.19 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.674 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.94 35.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.229 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 55.2 t -48.85 -55.33 20.74 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.2 Cg_endo -56.94 -43.51 53.45 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.827 1.685 . . . . 0.0 112.79 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.523 HD12 HD23 ' A' ' 223' ' ' LEU . 60.0 mt -68.75 -53.26 27.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.888 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.11 -38.78 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.362 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.881 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.1 tt -63.81 -44.37 93.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.28 -35.83 80.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.819 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.422 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 37.1 mmt180 -62.99 -37.52 87.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.177 0.513 . . . . 0.0 109.866 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 67.6 mt -66.08 -32.57 74.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.999 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.52 -34.95 67.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.743 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 4.7 ttm -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 109.754 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.559 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.8 mmtt -72.63 -29.89 63.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.298 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.08 -50.08 70.05 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.3 -48.5 78.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.49 -55.36 35.59 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.423 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 17.3 m0 -68.06 -34.37 76.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.997 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.494 HH21 HD23 ' B' ' 628' ' ' LEU . 33.3 mmt180 -68.19 -35.64 78.32 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.838 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.46 -36.28 65.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.769 0.319 . . . . 0.0 110.385 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.27 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.244 0.545 . . . . 0.0 109.924 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -63.35 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.117 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.628 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 44.0 ttt180 -54.15 -40.04 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.315 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -70.87 -52.56 14.13 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.746 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -89.16 -67.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.94 -35.12 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.628 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 4.2 tmtm? . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.547 ' HB3' ' HE2' ' A' ' 209' ' ' TYR . 95.5 mt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.65 0.262 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -95.4 -58.79 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.226 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.547 ' HE2' ' HB3' ' A' ' 207' ' ' LEU . 89.8 m-85 71.69 -50.04 0.69 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.292 0.637 . . . . 0.0 112.214 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 48.1 tp -86.41 168.37 13.86 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.431 ' N ' ' HG ' ' A' ' 210' ' ' LEU . 91.4 mt -114.0 145.04 42.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 4.0 m -60.74 147.56 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.719 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.13 -40.39 46.03 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.0 -46.75 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.756 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.53 -47.56 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.77 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.481 HG12 ' HD1' ' B' ' 674' ' ' TYR . 59.2 mt -56.56 -49.68 76.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.182 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.5 ' HG2' ' HD3' ' A' ' 221' ' ' ARG . 48.2 ttm -72.8 -28.7 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.664 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.62 -49.3 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.7 m-20 -58.11 -52.25 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 47.2 tp -55.25 -40.69 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.908 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.5 ' HD3' ' HG2' ' A' ' 217' ' ' MET . 11.5 mtp180 -73.18 -38.75 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.44 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 95.3 m -64.82 -30.27 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.124 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -59.21 -19.66 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.321 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.633 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -61.65 -38.34 87.37 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.343 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.79 -48.64 69.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.041 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.95 -42.27 99.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.253 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.504 ' HA ' HG12 ' B' ' 623' ' ' VAL . 3.9 mm? -64.58 -45.57 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.434 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.49 -42.62 98.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.156 0.503 . . . . 0.0 109.941 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.27 -45.36 86.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.562 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.2 p -68.87 -37.01 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.236 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -65.79 -45.09 83.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.84 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.87 -50.12 73.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.479 0.657 . . . . 0.0 109.804 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.712 HG23 ' HB ' ' B' ' 665' ' ' ILE . 94.5 m -63.82 -43.7 95.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.549 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.519 ' OD1' ' HA ' ' B' ' 704' ' ' GLU . 3.4 t-20 -56.29 -59.37 5.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.022 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.494 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.5 tt -65.91 -30.37 70.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.725 -173.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 629' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 633' ' ' VAL . . . -60.29 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 109.842 173.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 14.4 m -63.39 -34.68 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.445 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.532 HD12 ' HD2' ' B' ' 701' ' ' LYS . 33.3 mm -52.39 -52.71 23.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.156 0.503 . . . . 0.0 110.398 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 74.2 mtp180 -65.11 -30.03 70.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.992 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 629' ' ' ALA . 41.1 t -64.67 -64.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.269 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' B' ' 697' ' ' LEU . 3.4 mm? -58.37 -38.98 78.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.381 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 1.3 mm-40 -59.83 -48.23 82.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.649 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.96 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.712 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 633' ' ' VAL . 81.5 mt -64.74 -47.69 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.79 -39.29 84.47 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 639' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 67.3 mttm -63.31 -41.0 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -70.17 -36.79 74.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 95.9 mt -64.81 -60.13 3.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 52.8 m 56.35 24.76 8.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.983 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 643' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' B' ' 690' ' ' SER . 66.7 mtt180 54.96 65.49 1.49 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.326 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.698 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.4 mt -65.57 166.67 10.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.217 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 14.7 m -65.69 162.52 18.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.83 -45.04 67.12 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.004 0.43 . . . . 0.0 111.801 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -61.25 -39.38 90.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.698 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 33.1 mt-10 -79.82 -22.52 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.457 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -73.49 -27.47 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.027 0.441 . . . . 0.0 110.062 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.03 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.961 170.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -57.77 -58.48 8.18 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.276 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -107.19 80.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.845 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -98.66 153.71 18.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' B' ' 685' ' ' LEU . 8.4 mp -75.27 58.54 0.96 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -114.34 -3.8 13.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.321 0.581 . . . . 0.0 110.159 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -105.27 1.19 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.515 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 657' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 19.0 m -145.17 152.04 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.155 -178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' B' ' 657' ' ' THR . 82.6 mt . . . . . 0 N--CA 1.466 0.339 0 O-C-N 123.608 0.568 . . . . 0.0 111.09 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 121.106 0.479 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.55 -40.59 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.89 -47.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.879 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.712 ' HB ' HG23 ' B' ' 626' ' ' THR . 25.2 pt -68.55 -41.63 83.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.168 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -70.63 -43.75 68.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 667' ' ' ARG . 16.7 ttm-85 -65.53 -42.03 92.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.051 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.67 -45.54 93.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.85 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.65 HD12 HD11 ' B' ' 673' ' ' ILE . 12.8 tp -71.03 -33.98 70.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.353 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 33.4 mt-30 -69.41 -24.61 63.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.637 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -78.25 -27.87 47.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.901 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.65 HD11 HD12 ' B' ' 670' ' ' LEU . 32.6 pt -95.31 -32.18 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.303 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.481 ' HD1' HG12 ' A' ' 216' ' ' ILE . 32.6 m-85 -122.66 48.59 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 675' ' ' ALA . . . . . 0.614 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -31.78 -53.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.67 -37.25 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.11 25.17 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.31 97.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.786 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.336 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.48 -43.95 72.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.096 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.99 -47.18 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.606 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' B' ' 685' ' ' LEU . 98.8 mt -61.09 -42.15 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.07 -43.43 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.041 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.02 98.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.291 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.646 HD21 HG11 ' B' ' 696' ' ' VAL . 58.7 mt -56.04 -38.32 70.41 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.08 -52.83 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.826 0.346 . . . . 0.0 110.754 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.498 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 11.4 ttmt -59.4 -51.86 68.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.076 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -133.31 82.95 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.24 -50.63 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.464 2.11 . . . . 0.0 113.085 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 690' ' ' SER . . . . . 0.488 ' HB3' ' HG2' ' B' ' 643' ' ' ARG . 24.2 m -66.57 -10.12 42.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.669 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 36.3 mt -91.72 -45.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.83 0.347 . . . . 0.0 110.571 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -84.09 -40.59 18.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -175.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.666 HG12 ' HD3' ' B' ' 694' ' ' PRO . 2.9 p -59.37 -36.04 36.91 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.666 ' HD3' HG12 ' B' ' 693' ' ' VAL . 11.7 Cg_exo -72.31 -40.98 2.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 121.493 1.462 . . . . 0.0 111.697 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 15.1 mt -67.52 -51.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.393 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.646 HG11 HD21 ' B' ' 685' ' ' LEU . 4.3 p -65.07 -33.82 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.37 -175.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.491 HD21 ' HG2' ' B' ' 635' ' ' GLU . 56.4 tp -72.72 -34.9 67.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.614 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.16 -45.21 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.229 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.447 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 29.8 mmt180 -62.6 -39.73 94.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.277 0.56 . . . . 0.0 109.874 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 27.4 tp -66.51 -32.45 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.615 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.532 ' HD2' HD12 ' B' ' 631' ' ' ILE . 4.8 mptp? -71.9 -37.62 70.08 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.5 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.4 ttp -63.47 -40.07 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.423 ' HE2' HG22 ' B' ' 673' ' ' ILE . 15.7 mmtm -70.12 -33.45 71.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.081 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.519 ' HA ' ' OD1' ' B' ' 627' ' ' ASN . 32.7 tt0 -55.72 -43.88 76.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.182 0.515 . . . . 0.0 109.749 174.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.1 -42.42 84.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 706' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 709' ' ' GLU . 35.4 tt0 -59.5 -48.9 79.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -71.95 -28.91 63.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -64.69 -39.25 93.33 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 171.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 706' ' ' GLU . 27.7 mm-40 -56.89 -49.47 75.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.576 174.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.11 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.48 -37.07 85.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.641 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 58.5 mtm-85 -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.372 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -86.57 -48.71 4.4 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.952 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.73 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.77 -42.07 67.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.519 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 53.9 tttm . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -76.7 84.56 3.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.735 0.779 . . . . 0.0 109.964 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.12 -48.27 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 672' ' ' ARG . 76.7 mt -72.76 139.14 46.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.177 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.02 155.5 28.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 46.7 p -73.4 152.24 40.88 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.415 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 -31.61 60.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.12 -54.64 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.03 -34.69 78.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.007 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.41 ' O ' HD13 ' A' ' 220' ' ' LEU . 77.5 mt -64.59 -51.3 69.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.778 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.315 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.16 -52.3 65.85 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.328 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.72 -51.33 69.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.264 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 216' ' ' ILE . 10.2 mp -53.75 -45.91 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.569 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.666 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 1.6 mmp_? -70.47 -32.62 70.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.939 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 77.7 m -67.19 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 110.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.476 ' HA ' HG21 ' B' ' 691' ' ' ILE . 88.3 mt -59.18 -20.7 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.378 0.609 . . . . 0.0 109.893 178.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 121.052 0.453 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' B' ' 617' ' ' ARG . 9.0 ttp180 -64.3 -33.96 77.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.71 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.6 -54.39 47.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.982 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.413 ' CD ' HH12 ' B' ' 672' ' ' ARG . 39.3 tt0 -69.01 -29.84 68.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.426 ' HA ' HG12 ' B' ' 623' ' ' VAL . 1.4 mm? -66.22 -43.12 87.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.11 -41.45 81.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.074 0.464 . . . . 0.0 109.953 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.85 -48.01 88.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.498 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.3 p -65.53 -36.1 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.054 -177.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.6 mm? -66.85 -40.42 87.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 110.6 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.39 -48.43 81.28 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.557 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.582 HG22 ' HB2' ' B' ' 669' ' ' ALA . 29.8 m -61.07 -41.91 97.5 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.454 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.481 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.3 t-20 -58.07 -61.06 2.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.705 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.39 -41.16 72.27 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.56 73.0 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 110.887 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 58.8 m -67.11 -35.39 79.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.849 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' B' ' 635' ' ' GLU . 24.9 mm -58.79 -55.71 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.282 174.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -56.43 -45.21 80.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.316 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.678 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.6 p -64.76 -42.75 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.661 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 44.8 mt -70.72 -36.1 73.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' B' ' 697' ' ' LEU . 52.7 mt-10 -59.45 -41.61 90.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 636' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -62.79 -43.61 98.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.774 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.678 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.5 mm -61.11 -54.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.031 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.65 -36.18 78.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 110.618 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -61.6 -47.13 86.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.436 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 640' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 97.9 mttt -68.6 -28.63 67.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -73.28 -70.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.676 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.0 m 55.03 32.84 19.0 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 69.34 96.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.885 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.791 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 97.1 mt -112.4 162.41 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.223 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 36.0 t -76.06 163.74 26.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.11 -34.31 63.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 111.671 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.14 -40.11 86.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.213 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.791 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 36.7 mt-10 -75.1 -32.2 61.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.19 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 645' ' ' SER . 76.2 mt-30 -65.95 -31.54 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.399 176.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.77 64.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -78.1 -56.25 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.101 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -110.29 102.86 11.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 40.2 ttp180 -135.36 165.99 24.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.969 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 685' ' ' LEU . 2.9 mm? -79.81 97.34 6.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.065 0.459 . . . . 0.0 109.972 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -132.03 -80.39 0.51 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.96 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -99.77 6.03 45.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 p -84.37 -32.39 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.541 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 -179.775 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.25 0.547 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.0 -47.67 85.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.255 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.87 -45.71 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.344 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.5 -34.67 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 O-C-N 122.23 -0.294 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -70.05 -43.24 71.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' B' ' 667' ' ' ARG . 8.7 tpt180 -61.12 -49.06 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.225 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.39 -38.36 83.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.486 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -65.94 -45.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.735 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.9 -32.07 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -72.03 -28.05 63.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.559 0.219 . . . . 0.0 111.31 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.482 ' O ' HD23 ' A' ' 210' ' ' LEU . 10.0 ttm180 -73.49 -29.98 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.561 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.62 -39.28 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.929 0.395 . . . . 0.0 111.491 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -114.29 39.31 2.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.307 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.1 -38.51 3.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -76.32 -43.05 42.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.508 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.455 ' O ' HG12 ' B' ' 681' ' ' ILE . 70.7 mmtt -120.64 33.97 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.536 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -59.27 -46.12 89.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.203 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.15 79.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -69.73 -39.97 76.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.198 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 677' ' ' LYS . 47.5 mm -71.04 -40.64 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.536 HG12 ' O ' ' B' ' 678' ' ' ALA . 33.4 mm -57.46 -46.59 85.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.05 0.453 . . . . 0.0 109.964 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.6 -41.99 99.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.37 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.2 -43.51 98.36 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.501 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.493 ' O ' HD23 ' B' ' 654' ' ' LEU . 87.8 mt -57.81 -44.06 86.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.237 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' B' ' 682' ' ' ILE . 59.1 mtm180 -73.9 -25.25 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.046 0.451 . . . . 0.0 110.552 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 36.9 ttmt -80.61 -50.16 10.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.218 -175.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.423 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 40.1 t-20 -149.14 97.51 3.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.258 0.552 . . . . 0.0 110.228 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 37.2 Cg_endo -65.91 -25.11 52.69 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.903 2.402 . . . . 0.0 112.42 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 23.1 t -75.83 -9.56 58.7 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.435 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.476 HG21 ' HA ' ' A' ' 223' ' ' LEU . 43.8 mt -106.62 -65.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.58 95.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.659 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.3 t -55.83 -53.93 57.55 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -54.89 -41.94 73.66 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.175 1.917 . . . . 0.0 112.909 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.558 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.6 mt -73.53 -49.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.911 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.462 HG11 HD21 ' B' ' 685' ' ' LEU . 2.9 p -64.27 -33.77 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.229 0.537 . . . . 0.0 110.289 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' B' ' 635' ' ' GLU . 1.9 tt -68.32 -40.25 81.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -57.83 -42.75 84.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.929 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 34.1 mmt180 -63.39 -46.58 85.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.334 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' B' ' 631' ' ' ILE . 20.8 mt -69.81 -32.85 71.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.797 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.416 ' HE2' ' OE1' ' B' ' 704' ' ' GLU . 3.1 tptm -73.06 -35.85 66.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.092 0.472 . . . . 0.0 109.83 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 54.2 ttp -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.521 173.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -71.76 -31.5 66.7 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.416 ' OE1' ' HE2' ' B' ' 701' ' ' LYS . 35.1 tt0 -57.37 -49.0 77.57 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.77 -49.48 68.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.52 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.66 -50.23 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -65.59 -33.85 76.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.741 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.419 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 51.2 mm-40 -65.51 -36.53 84.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.855 0.359 . . . . 0.0 110.735 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.26 68.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 0.0 110.31 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.07 -37.25 86.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.905 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.597 ' HA ' ' CG ' ' B' ' 716' ' ' LYS . 10.0 ptm180 -74.1 -17.23 60.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -87.22 -50.38 3.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.697 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -90.19 -64.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.85 -56.53 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -167.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.597 ' CG ' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.116 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 208' ' ' ASN . . . . . 0.584 ' HB2' ' OE2' ' B' ' 706' ' ' GLU . 85.5 m-20 -108.96 90.69 3.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' B' ' 673' ' ' ILE . 24.8 m-85 -68.99 -40.05 78.98 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.149 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.46 158.04 17.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.072 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.729 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 77.7 mt -100.04 155.38 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 25.1 p -69.36 137.68 53.06 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -63.3 -23.04 67.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.173 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.94 -54.07 46.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.13 -43.8 98.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.333 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.646 ' O ' ' HB2' ' A' ' 220' ' ' LEU . 72.4 mt -57.35 -46.9 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.594 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 44.4 ttm -68.56 -31.28 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.682 0.277 . . . . 0.0 110.639 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.53 -55.56 33.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.6 p30 -77.44 -29.38 52.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.962 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 216' ' ' ILE . 0.5 OUTLIER -53.86 -45.32 70.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 110.2 175.042 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 217' ' ' MET . 92.9 mtt180 -70.11 -43.89 70.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.348 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 93.3 m -59.6 -32.85 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 83.3 mt -63.87 -16.59 61.74 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 121.143 0.497 . . . . 0.0 111.211 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.688 179.05 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' B' ' 715' ' ' ASN . 28.3 ttp-105 -56.13 -38.69 71.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.73 -48.15 83.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.65 -30.9 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.314 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.523 ' HA ' HG12 ' B' ' 623' ' ' VAL . 2.5 mm? -66.7 -40.44 88.47 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.766 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.38 -43.46 90.67 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.77 -53.44 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.474 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.4 p -63.94 -39.52 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.913 -0.13 . . . . 0.0 111.34 -176.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 624' ' ' LEU . 1.9 mm? -63.94 -43.22 96.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.739 0.304 . . . . 0.0 110.849 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -71.33 -38.19 71.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.079 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.579 HG22 ' HB2' ' B' ' 669' ' ' ALA . 89.4 m -62.34 -45.18 94.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.277 0.56 . . . . 0.0 110.07 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.16 -44.3 95.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.202 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.87 -47.19 85.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.806 -177.578 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.52 94.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.15 0.5 . . . . 0.0 110.916 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' B' ' 666' ' ' HIS . 32.1 m -68.7 -36.62 78.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.479 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 1.0 OUTLIER -57.6 -47.56 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.559 174.498 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 15.7 mmm180 -67.27 -45.09 77.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.391 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.546 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.2 p -64.13 -41.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.053 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.42 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.3 mt -69.08 -41.14 77.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.479 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.417 ' OE2' HG23 ' B' ' 631' ' ' ILE . 43.3 mt-10 -63.91 -36.44 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.269 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 636' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.316 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.546 HG12 ' O ' ' B' ' 633' ' ' VAL . 47.9 mm -58.2 -44.55 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.226 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -55.61 -42.47 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -73.71 -35.14 65.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 640' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 28.4 mtpp -70.88 -29.07 65.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.373 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 81.2 mt -71.28 -64.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.34 174.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 74.9 m 49.12 38.31 12.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 67.72 82.78 0.17 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.956 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 81.1 mt -87.5 155.27 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.103 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 32.8 t -73.0 167.54 20.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.85 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.893 0.378 . . . . 0.0 111.034 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.83 -27.86 68.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.241 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.7 mt-10 -76.56 -34.65 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.465 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 45.3 mt-30 -73.47 -21.54 60.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.599 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.99 59.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 109.8 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 651' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 33.8 ttpt -88.33 -60.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.853 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -103.52 112.13 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.248 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.473 ' HG2' ' H ' ' B' ' 654' ' ' LEU . 18.2 ttp180 -131.83 171.29 13.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.36 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.473 ' H ' ' HG2' ' B' ' 653' ' ' ARG . 8.6 mp -78.74 63.42 3.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 0.0 111.003 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -109.32 127.52 54.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.014 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 69.77 7.13 6.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.034 0.534 . . . . 0.0 111.709 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 4.1 p -97.6 -38.68 9.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.295 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' B' ' 663' ' ' GLU . 7.9 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 110.228 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.132 0.491 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 663' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' B' ' 658' ' ' LEU . 41.7 tt0 -59.37 -52.37 65.92 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.21 -33.86 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 0.0 111.158 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.422 HG23 HG23 ' B' ' 626' ' ' THR . 53.3 mt -67.08 -57.45 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 666' ' ' HIS . . . . . 0.442 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.3 m-70 -69.99 -36.9 75.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.41 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -61.0 -52.47 64.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.274 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.95 -44.56 94.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.319 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -61.04 -44.94 96.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.838 HD23 HG12 ' B' ' 682' ' ' ILE . 14.0 tp -76.71 -36.88 56.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.452 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 86.5 mt-30 -66.5 -24.22 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.058 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.573 ' NE ' ' HA ' ' B' ' 672' ' ' ARG . 3.2 tpm_? -64.91 -51.66 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.699 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.729 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.0 pt -79.77 -39.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.577 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.66 ' CD1' HG13 ' B' ' 681' ' ' ILE . 30.7 m-85 -99.29 31.22 3.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.224 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.56 3.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.83 -15.52 56.16 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -152.55 35.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.418 0.628 . . . . 0.0 110.585 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.452 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -62.28 -43.73 98.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.903 -173.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.4 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.755 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.05 -27.67 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.993 0.425 . . . . 0.0 110.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.66 HG13 ' CD1' ' B' ' 674' ' ' TYR . 47.5 mm -80.11 -45.67 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.199 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.838 HG12 HD23 ' B' ' 670' ' ' LEU . 82.9 mt -63.96 -37.04 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.34 0.591 . . . . 0.0 109.904 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.55 -25.23 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.652 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -57.58 -44.77 93.75 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.253 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.436 ' HB3' HD22 ' B' ' 654' ' ' LEU . 71.5 mt -62.89 -34.11 76.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.369 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.469 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 21.5 mtm180 -84.81 -28.54 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.566 . . . . 0.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -70.44 -62.69 1.29 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.843 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.405 ' HB3' ' CG1' ' B' ' 691' ' ' ILE . 85.4 m-20 -130.41 90.73 40.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.731 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.465 ' HG2' ' OE1' ' B' ' 649' ' ' GLN . 18.8 Cg_endo -60.95 -46.34 16.47 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.196 1.931 . . . . 0.0 112.581 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 8.6 t -70.55 -3.93 20.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.194 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' B' ' 688' ' ' ASN . 44.8 mm -108.14 -59.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.15 61.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.623 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 48.3 t -52.19 -54.43 41.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.72 -176.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.623 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 32.1 Cg_exo -59.43 -44.54 32.07 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.814 1.676 . . . . 0.0 112.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.69 -54.26 20.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.61 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.84 -38.88 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' B' ' 634' ' ' LEU . 63.7 tp -65.87 -36.52 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 177.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.13 -42.84 99.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 110.633 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.634 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 22.2 mmt180 -63.48 -39.26 93.98 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.394 0.616 . . . . 0.0 110.527 176.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 16.9 tp -72.66 -29.62 63.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.675 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 62.5 mmtt -73.4 -33.7 65.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.064 175.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 55.0 ttp -61.52 -43.72 98.35 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.163 0.506 . . . . 0.0 109.712 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 25.7 mmtp -78.24 -27.27 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.025 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 171.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.12 -48.26 80.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.814 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 706' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 208' ' ' ASN . 30.6 tt0 -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.402 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 5.9 m0 -67.93 -28.42 67.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.39 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -46.13 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.92 -33.73 76.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.26 68.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 26.1 tt0 -65.59 -30.17 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.237 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 78.9 ttt180 -61.41 -33.92 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.374 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.41 -46.07 10.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.934 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -88.56 -65.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.915 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.469 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 49.7 t30 -68.91 -47.73 65.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.485 -171.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 50.0 tttm . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.672 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.368 0.604 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -93.55 110.64 22.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.729 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -92.52 -49.39 6.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.911 0.386 . . . . 0.0 110.536 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -83.59 169.81 14.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.551 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.39 176.62 5.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.065 171.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -81.33 145.27 30.95 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.7 -35.75 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.38 0.609 . . . . 0.0 109.843 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.79 -55.23 32.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.148 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.14 -34.5 73.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.83 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.41 HG12 ' HD1' ' B' ' 674' ' ' TYR . 78.4 mt -62.49 -50.75 78.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.334 0.588 . . . . 0.0 110.359 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 45.1 ttm -67.38 -33.62 75.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.75 -45.43 85.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.222 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.82 -53.06 62.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.83 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.543 HD22 ' HD3' ' B' ' 677' ' ' LYS . 49.3 tp -55.85 -41.52 74.44 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.382 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 217' ' ' MET . 99.3 mtt180 -69.61 -38.57 77.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.049 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 90.4 m -62.97 -32.52 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.733 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.51 -35.04 73.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.509 -177.203 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 616' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 4.6 tp10 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -71.85 -33.67 68.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.155 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 618' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 622' ' ' VAL . 9.2 m-85 -61.7 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.49 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.72 -44.06 85.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.561 ' HB3' ' OE1' ' B' ' 711' ' ' GLN . 93.0 mt -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.705 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.26 -41.07 87.95 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 622' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 618' ' ' PHE . 94.0 t -68.87 -51.33 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 620' ' ' LEU . 7.2 p -61.1 -40.98 87.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.159 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.64 ' HG ' ' HG2' ' B' ' 711' ' ' GLN . 0.8 OUTLIER -61.38 -51.41 68.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 111.2 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.22 -42.93 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.548 HG22 ' HB2' ' B' ' 669' ' ' ALA . 20.8 m -64.18 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.195 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.514 ' O ' HG12 ' B' ' 631' ' ' ILE . 2.9 t-20 -61.75 -54.31 44.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.46 176.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.52 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 5.0 tt -61.79 -38.25 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.763 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.4 85.9 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.613 0.721 . . . . 0.0 110.339 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.563 HG22 HD23 ' B' ' 634' ' ' LEU . 24.1 m -66.85 -33.7 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.368 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 627' ' ' ASN . 43.2 mm -56.55 -48.57 80.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.259 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 71.7 mtp180 -57.21 -53.62 56.0 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.927 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.554 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.0 p -69.45 -33.77 58.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.66 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 0.6 OUTLIER -61.64 -50.34 72.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.621 0.248 . . . . 0.0 111.065 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' B' ' 697' ' ' LEU . 29.7 mt-10 -64.35 -34.37 78.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.37 82.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.554 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.6 mm -63.49 -45.09 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -59.19 -39.35 82.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 639' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' B' ' 639' ' ' LYS . 39.4 ttmt -68.72 -38.65 80.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.673 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.78 -31.15 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' B' ' 689' ' ' PRO . 79.0 mt -72.67 -70.28 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.244 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.7 m 60.46 23.48 13.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.321 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 67.2 94.61 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 111.073 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.772 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 87.8 mt -108.66 167.16 10.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.224 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.4 p -78.18 167.47 21.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.57 65.24 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.67 -37.23 86.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.796 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.772 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 35.3 mt-10 -79.29 -28.3 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.89 -31.01 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.937 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.17 -21.23 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.289 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -77.79 -58.91 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.995 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -103.84 109.52 21.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 60.5 ttp180 -135.21 151.51 50.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.457 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' B' ' 689' ' ' PRO . 6.1 mp -73.96 112.99 10.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.59 0.233 . . . . 0.0 110.873 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 655' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' B' ' 656' ' ' ASN . 17.6 t70 -166.73 103.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 656' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 655' ' ' ASP . 47.2 m-80 69.99 -0.32 2.79 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.819 0.699 . . . . 0.0 110.417 -171.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -20.15 59.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.053 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.679 ' HB2' ' HG3' ' B' ' 663' ' ' GLU . 73.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.653 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.784 0.326 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 663' ' ' GLU . . . . . 0.679 ' HG3' ' HB2' ' B' ' 658' ' ' LEU . 33.4 tt0 -73.98 -29.86 62.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.1 p -54.66 -47.1 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.769 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' B' ' 626' ' ' THR . 35.1 pt -68.63 -36.08 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.984 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -73.51 -44.8 56.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.043 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 16.5 ttm180 -61.05 -48.11 83.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.927 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.24 -43.07 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.411 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.548 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.94 -44.04 97.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.196 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.407 ' O ' HG12 ' B' ' 673' ' ' ILE . 32.8 tp -69.88 -36.68 75.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 26.1 mt-30 -69.7 -24.26 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.714 0.292 . . . . 0.0 110.863 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -72.45 -12.54 61.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.644 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.427 HG21 ' HG3' ' B' ' 703' ' ' LYS . 39.9 pt -107.43 -23.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.082 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.41 ' HD1' HG12 ' A' ' 216' ' ' ILE . 22.7 m-85 -115.02 25.81 10.62 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.47 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 675' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' B' ' 678' ' ' ALA . . . -39.48 -46.21 1.66 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 676' ' ' ASP . . . . . 0.522 ' OD1' ' HG2' ' B' ' 677' ' ' LYS . 13.8 t70 -52.15 -47.95 65.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.543 ' HD3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -118.98 34.08 5.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.111 -178.072 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' B' ' 675' ' ' ALA . . . -57.97 -51.87 67.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.76 -173.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.8 -45.94 48.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.117 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.436 HG12 ' O ' ' B' ' 677' ' ' LYS . 43.6 mm -65.02 -41.92 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.41 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 37.5 mm -60.81 -43.38 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.54 -36.54 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.605 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.24 -46.0 94.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.256 -0.497 . . . . 0.0 111.903 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.498 HD21 HG21 ' B' ' 696' ' ' VAL . 58.6 mt -59.78 -34.67 73.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.435 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 2.1 tpt180 -76.29 -12.71 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.837 -176.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -108.15 -53.3 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.466 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 43.1 t-20 -136.65 91.55 15.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.601 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.615 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 50.7 Cg_endo -70.45 -26.84 23.91 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.58 2.187 . . . . 0.0 112.35 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -29.2 70.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.504 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 695' ' ' ILE . 67.5 mt -94.6 -54.27 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.535 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -64.72 -52.03 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.463 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 88.9 t -55.79 -49.86 90.42 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -169.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.2 Cg_endo -56.49 -38.97 94.34 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.444 1.429 . . . . 0.0 112.479 177.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 691' ' ' ILE . 13.4 mt -70.33 -53.13 24.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 110.602 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.535 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.6 m -61.34 -35.2 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.252 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.66 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.0 tt -63.42 -43.02 98.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.982 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 698' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 61.3 mttp -56.09 -49.77 72.89 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -68.2 -30.87 70.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.052 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.6 tp -72.74 -36.45 67.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.243 0.544 . . . . 0.0 109.787 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.424 ' HD2' HD12 ' B' ' 631' ' ' ILE . 9.0 tptm -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.972 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.0 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.963 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 46.2 mmtt -69.04 -38.8 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.463 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.43 -46.25 83.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.12 -46.32 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.123 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.72 -50.54 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.729 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.516 ' O ' ' HB2' ' B' ' 711' ' ' GLN . 5.4 m0 -62.29 -32.68 73.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.727 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' B' ' 708' ' ' ARG . 7.2 mmt180 -66.53 -43.24 85.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.29 -29.61 65.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.444 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.42 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.22 0.534 . . . . 0.0 110.21 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.64 ' HG2' ' HG ' ' B' ' 624' ' ' LEU . 8.8 tp60 -62.56 -30.52 71.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.137 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.9 ttp180 -62.93 -31.58 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.497 176.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.19 -41.27 10.39 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.483 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -89.02 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.825 0.345 . . . . 0.0 111.869 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' B' ' 711' ' ' GLN . 27.4 t-20 -69.32 -49.59 54.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.847 -171.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 22.8 ttpt . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.564 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -102.72 9.63 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.748 ' HD2' ' HE1' ' B' ' 707' ' ' TRP . 92.5 m-85 74.33 -30.41 0.2 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.139 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.443 HD23 ' O ' ' B' ' 672' ' ' ARG . 72.5 mt -73.36 -175.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 111.199 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.444 ' CD1' ' HE3' ' B' ' 703' ' ' LYS . 5.8 mp -113.74 172.73 6.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 30.7 p -79.85 150.07 30.77 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.54 -44.91 13.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.939 0.495 . . . . 0.0 111.335 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -52.53 -37.76 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.475 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -78.32 -39.43 39.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.224 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 211' ' ' LEU . 2.2 mp -61.96 -48.58 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -33.46 75.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.6 -52.45 64.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.294 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -64.45 -38.75 92.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.143 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.98 -43.17 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.145 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -67.2 -30.49 70.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.779 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 59.5 m -68.92 -31.36 70.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.387 0.137 . . . . 0.0 111.112 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.507 HD23 HG22 ' B' ' 691' ' ' ILE . 52.8 mt -62.81 -32.55 73.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.228 0.537 . . . . 0.0 109.555 173.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.805 177.839 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 616' ' ' GLU . . . . . 0.404 ' OE1' ' HB3' ' B' ' 714' ' ' PHE . 37.1 tt0 . . . . . 0 C--O 1.238 0.497 0 CA-C-O 121.614 0.721 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.425 ' HD3' HH11 ' B' ' 617' ' ' ARG . 35.3 ttt180 -65.45 -37.18 86.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.033 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.65 -53.26 32.4 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.385 0.428 . . . . 0.0 110.555 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.29 -38.84 91.46 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.636 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.507 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.11 -39.36 82.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.876 0.369 . . . . 0.0 110.32 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.16 -47.81 80.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.387 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.79 -37.13 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.009 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -69.22 -41.45 77.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.752 0.31 . . . . 0.0 110.727 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.18 -48.58 81.14 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.619 HG22 ' HB2' ' B' ' 669' ' ' ALA . 19.5 m -61.52 -39.67 91.86 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.13 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.449 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -56.77 -61.36 2.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.93 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.37 -34.93 76.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.56 92.63 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.209 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.534 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.7 m -74.55 -31.28 62.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.054 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.464 HD12 ' HD2' ' B' ' 701' ' ' LYS . 29.9 mm -60.17 -51.75 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 0.0 110.099 173.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.86 -45.74 93.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.342 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.654 ' O ' HG12 ' B' ' 637' ' ' ILE . 10.8 p -65.24 -46.11 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.393 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.497 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 40.9 mt -65.19 -39.46 92.88 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.326 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' B' ' 639' ' ' LYS . 19.3 mm-40 -61.47 -42.76 99.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.512 175.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.78 97.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.155 0.502 . . . . 0.0 110.222 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.654 HG12 ' O ' ' B' ' 633' ' ' VAL . 44.6 mm -59.3 -48.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.949 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -58.27 -42.03 85.6 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.803 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 639' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' B' ' 635' ' ' GLU . 46.9 mmtm -60.34 -40.54 91.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.237 0.541 . . . . 0.0 110.576 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -81.49 -23.94 37.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.593 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 61.4 mt -71.48 -71.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.719 177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.6 m 57.29 40.06 28.05 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.52 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 72.1 -38.47 0.42 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.503 1.121 . . . . 0.0 112.63 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.647 HD22 ' HB3' ' B' ' 648' ' ' GLU . 75.4 mt 63.04 -177.19 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.64 0.733 . . . . 0.0 111.937 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' B' ' 648' ' ' GLU . 7.2 m -109.49 177.79 4.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.331 172.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.5 63.94 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 120.787 0.327 . . . . 0.0 111.203 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.1 -40.4 81.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.281 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.647 ' HB3' HD22 ' B' ' 644' ' ' LEU . 43.4 mt-10 -73.72 -32.15 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -174.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -69.0 -31.53 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.457 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.17 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.232 174.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -64.23 -64.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.769 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -101.58 97.13 7.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.766 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -121.13 156.79 31.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.924 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.571 HD21 HG21 ' B' ' 637' ' ' ILE . 88.3 mt -77.6 29.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -170.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.44 -77.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.668 0.27 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -72.74 -29.12 63.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.081 0.467 . . . . 0.0 110.735 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 m -73.59 -27.68 61.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.236 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.653 -176.38 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.194 0.521 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.05 -45.76 86.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.307 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -48.44 -46.02 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 O-C-N 123.811 0.695 . . . . 0.0 112.868 -170.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.52 -45.38 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.825 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 666' ' ' HIS . . . . . 0.409 ' CE1' HG11 ' B' ' 633' ' ' VAL . 35.9 m-70 -72.63 -43.48 63.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.268 0.556 . . . . 0.0 110.215 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 69.1 ttt180 -63.12 -40.0 96.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.396 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.49 -46.29 90.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.619 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.3 -46.35 90.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.11 -28.62 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.143 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 84.8 mt-30 -75.53 -24.35 56.77 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.418 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.443 ' O ' HD23 ' A' ' 210' ' ' LEU . 40.2 ttt180 -89.76 14.63 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.067 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.421 ' HB ' ' CD1' ' A' ' 211' ' ' LEU . 11.2 pt -131.09 -41.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.582 170.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.488 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 80.1 m-85 -103.36 29.25 5.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.847 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.15 -51.75 0.25 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.05 -30.39 66.54 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -136.52 38.64 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.914 0.387 . . . . 0.0 111.961 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.415 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -68.05 -31.18 70.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.98 85.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.827 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -38.24 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.47 -43.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.0 mm -60.72 -41.09 87.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.15 0.5 . . . . 0.0 110.053 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.24 -47.55 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.493 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.66 -46.93 93.19 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.707 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.53 HD21 HG11 ' B' ' 696' ' ' VAL . 82.9 mt -56.93 -45.99 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -85.59 17.97 3.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -137.97 -41.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.262 . . . . 0.0 111.307 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.26 92.56 12.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 0.0 110.306 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.44 -35.04 18.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.088 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 50.6 m -66.96 -13.29 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.98 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.507 HG22 HD23 ' A' ' 223' ' ' LEU . 42.0 mt -102.94 -58.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.027 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -72.14 -39.68 68.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.628 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 69.2 t -55.69 -54.65 49.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 119.221 -0.419 . . . . 0.0 112.079 -176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.621 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 73.3 Cg_exo -52.5 -46.15 35.11 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.203 1.935 . . . . 0.0 112.768 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.72 -55.02 19.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.194 0.521 . . . . 0.0 110.494 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.53 HG11 HD21 ' B' ' 685' ' ' LEU . 2.4 p -64.59 -34.17 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.742 -174.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.628 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 0.5 OUTLIER -70.2 -40.4 74.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.06 -40.03 87.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.429 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.488 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 34.1 mmt180 -64.12 -40.1 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.461 ' HG ' HD11 ' B' ' 631' ' ' ILE . 34.0 tp -69.48 -34.96 75.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.622 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 4.4 mptp? -69.43 -36.81 77.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.166 0.507 . . . . 0.0 110.334 175.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.77 -46.88 83.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.069 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.444 ' HE3' ' CD1' ' A' ' 211' ' ' LEU . 2.6 mptp? -70.38 -25.73 63.38 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.459 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 27.1 tt0 -57.61 -48.53 79.15 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 31.7 mt-10 -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.216 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.14 -51.84 67.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.385 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.748 ' HE1' ' HD2' ' A' ' 209' ' ' TYR . 9.9 m0 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.06 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' B' ' 712' ' ' ARG . 14.3 mmt180 -62.95 -41.84 99.64 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.052 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -71.41 -36.82 71.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 110.947 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.51 -50.2 70.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.048 0.451 . . . . 0.0 110.106 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.521 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 43.1 tt0 -64.7 -28.72 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.82 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.62 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 18.0 ttt180 -66.32 -47.77 72.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.331 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -73.4 -38.65 52.53 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.101 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 714' ' ' PHE . . . . . 0.404 ' HB3' ' OE1' ' B' ' 616' ' ' GLU . 31.1 m-85 -88.13 -64.96 1.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.798 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.521 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 34.9 t30 -74.7 -52.38 11.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.879 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 9.5 tmtt? . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' B' ' 710' ' ' ALA . 71.4 mt . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.117 0.484 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.81 96.37 6.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.183 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.27 -40.39 11.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.563 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 40.4 mt -87.28 -169.12 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.227 -174.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.727 HD21 ' HD2' ' B' ' 703' ' ' LYS . 96.5 mt -134.58 144.5 47.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.5 m -61.97 148.4 43.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.07 -41.15 25.25 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.583 0.353 . . . . 0.0 111.707 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -60.11 -32.98 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.265 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.35 -47.15 68.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.873 HG21 ' HB3' ' B' ' 677' ' ' LYS . 4.6 mp -67.2 -39.81 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.347 0.594 . . . . 0.0 109.818 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 32.7 ttm -67.97 -33.69 75.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.256 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.73 -44.32 93.8 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 0.7 OUTLIER -57.21 -54.54 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.28 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.51 -41.92 70.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.594 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -65.01 -33.74 76.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 15.8 m -72.42 -44.78 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 68.6 mt -59.79 -26.96 66.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.025 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 10.6 t30 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.043 -174.346 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 616' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 34.3 tt0 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' B' ' 620' ' ' LEU . 60.6 ttt-85 -63.43 -31.8 73.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.131 -176.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG23 ' B' ' 622' ' ' VAL . 76.6 t80 -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.186 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.408 ' O ' HG12 ' B' ' 623' ' ' VAL . 33.6 tt0 -69.04 -30.48 68.85 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.467 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 63.1 mt -60.75 -45.05 95.82 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.566 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.88 -45.59 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.1 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 622' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 618' ' ' PHE . 86.7 t -61.8 -49.94 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.751 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.408 HG12 ' O ' ' B' ' 619' ' ' GLU . 15.0 p -66.63 -39.91 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 121.312 -0.155 . . . . 0.0 111.362 -175.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 624' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.07 -48.68 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.293 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -60.01 -47.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.529 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.546 HG22 ' HB2' ' B' ' 669' ' ' ALA . 50.2 m -61.66 -38.13 86.58 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.352 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.592 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.2 t-20 -61.31 -56.88 15.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.72 177.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 3.5 mm? -55.05 -38.71 68.36 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.313 0.383 . . . . 0.0 111.666 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.02 82.87 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.332 0.587 . . . . 0.0 110.659 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.484 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.4 m -69.85 -34.98 74.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.095 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' B' ' 700' ' ' LEU . 44.2 mm -51.29 -58.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.368 . . . . 0.0 110.443 170.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 19.5 mmt180 -59.09 -44.08 91.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.802 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' B' ' 630' ' ' THR . 11.1 p -64.36 -45.67 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.909 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.581 HD23 HD12 ' B' ' 637' ' ' ILE . 47.5 mt -73.74 -33.08 64.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -176.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.558 ' HG2' HD21 ' B' ' 697' ' ' LEU . 64.2 mt-10 -64.85 -40.75 95.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 109.843 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.33 83.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.581 HD12 HD23 ' B' ' 634' ' ' LEU . 96.7 mt -59.52 -48.64 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.125 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.17 -41.52 88.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.538 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 639' ' ' LYS . . . . . 0.432 ' HB3' ' HE3' ' B' ' 639' ' ' LYS . 25.3 ttpp -59.23 -45.04 92.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.62 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -70.22 -43.74 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 93.9 mt -62.87 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.327 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 34.0 m 56.43 25.32 9.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.172 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 643' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 643' ' ' ARG . 34.7 mtt85 64.21 79.17 0.26 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.77 176.99 5.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.115 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 27.5 t -62.97 153.99 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.74 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.79 -39.56 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.61 -28.81 59.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.536 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 77.7 mt-30 -63.98 -34.29 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.681 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -82.53 -24.73 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.16 -61.04 1.99 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -96.25 104.34 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.642 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 39.3 ttp180 -123.41 154.08 39.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.155 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.431 HD11 HG23 ' B' ' 637' ' ' ILE . 1.8 mm? -84.5 31.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -169.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 655' ' ' ASP . . . . . 0.454 ' OD2' ' HB3' ' B' ' 653' ' ' ARG . 9.9 m-20 -61.93 -55.97 24.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -87.08 -1.97 58.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.4 m -93.25 -42.42 9.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.761 178.817 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -38.34 89.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.204 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 664' ' ' VAL . . . . . 0.403 HG13 HG12 ' B' ' 665' ' ' ILE . 7.2 p -59.69 -36.55 66.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 CA-C-O 121.098 0.475 . . . . 0.0 110.625 177.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.511 HG23 HG23 ' B' ' 626' ' ' THR . 10.7 mm -71.83 -53.01 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.521 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -63.9 -36.28 83.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -71.85 -43.64 65.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.871 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -60.82 -43.93 97.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 110.774 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -64.34 -46.49 83.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 673' ' ' ILE . 0.6 OUTLIER -61.45 -39.48 90.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.195 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 45.0 mt-30 -72.45 -23.41 61.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.926 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 38.0 mtt180 -81.34 -29.61 34.08 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.518 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.591 HG13 ' CD2' ' B' ' 674' ' ' TYR . 21.2 pt -90.57 -39.49 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.671 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.591 ' CD2' HG13 ' B' ' 673' ' ' ILE . 96.6 m-85 -108.65 31.39 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.159 -0.338 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 675' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -32.12 -61.6 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -169.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.51 -1.91 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -171.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.873 ' HB3' HG21 ' A' ' 216' ' ' ILE . 49.9 tptt -153.31 29.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.601 0.715 . . . . 0.0 110.286 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.115 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.34 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.469 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 680' ' ' ASP . . . . . 0.449 ' HB2' ' HE3' ' B' ' 677' ' ' LYS . 12.1 t70 -68.71 -46.01 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.3 mm -68.23 -41.62 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.703 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.61 -39.93 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.365 0.602 . . . . 0.0 110.097 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 683' ' ' ASP . . . . . 0.696 ' OD2' ' HE2' ' B' ' 687' ' ' LYS . 20.3 t70 -71.85 -44.29 64.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.49 -39.09 96.84 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.919 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.474 HD21 HG21 ' B' ' 696' ' ' VAL . 83.9 mt -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.168 0.508 . . . . 0.0 110.854 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.642 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 83.0 mtp180 -92.41 11.66 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.032 -177.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.696 ' HE2' ' OD2' ' B' ' 683' ' ' ASP . 48.0 mttm -117.13 -55.42 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.491 174.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -129.42 85.73 58.19 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 37.2 Cg_endo -66.0 -35.43 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.578 2.185 . . . . 0.0 112.79 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.0 m -67.94 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.977 0.417 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 73.8 mt -97.97 -62.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.798 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.491 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.24 -44.1 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 72.2 t -55.51 -49.35 93.1 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.535 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.0 Cg_exo -57.54 -34.37 97.94 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.621 1.547 . . . . 0.0 112.762 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.418 ' O ' ' HD3' ' B' ' 699' ' ' ARG . 49.8 mt -74.4 -48.01 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.57 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.1 m -65.74 -33.33 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' B' ' 635' ' ' GLU . 3.1 tm? -59.84 -42.87 94.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.93 -42.78 98.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.449 ' HG2' ' OH ' ' B' ' 674' ' ' TYR . 1.6 mpt_? -62.72 -48.57 78.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.854 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.647 ' HB3' HD13 ' B' ' 631' ' ' ILE . 2.9 mm? -59.0 -42.43 90.05 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.439 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.8 OUTLIER -64.11 -49.82 70.72 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -65.79 -35.72 81.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 110.862 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.727 ' HD2' HD21 ' A' ' 211' ' ' LEU . 28.9 mtpp -86.72 -17.62 33.2 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.96 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 25.9 tt0 -59.38 -49.48 77.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.79 -36.17 79.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.898 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 706' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' B' ' 703' ' ' LYS . 3.7 tp10 -58.06 -53.05 62.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -69.69 -31.86 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -60.38 -41.69 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.12 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.99 -44.22 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.464 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 710' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 207' ' ' LEU . . . -62.62 -45.36 93.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.189 177.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.18 -40.54 96.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.352 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.64 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 13.6 ttp180 -72.89 -26.14 61.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -75.89 -42.65 24.77 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.236 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -89.78 -64.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.933 0.396 . . . . 0.0 112.045 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.404 ' N ' HD22 ' B' ' 715' ' ' ASN . 0.9 OUTLIER -72.52 -41.9 65.36 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -169.673 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 207' ' ' LEU . . . . . 0.587 HD23 ' HB1' ' B' ' 710' ' ' ALA . 2.4 pp . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.331 0.586 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -152.3 175.72 12.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.588 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -120.09 -41.25 2.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.424 HD23 ' O ' ' B' ' 672' ' ' ARG . 67.0 mt -80.41 -173.4 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.645 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.447 HD23 HG12 ' A' ' 216' ' ' ILE . 21.4 tp -129.65 150.49 50.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 151.63 29.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -41.62 62.9 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.014 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -49.42 -56.27 10.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.822 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.24 -41.03 67.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.952 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.447 HG12 HD23 ' A' ' 211' ' ' LEU . 75.0 mt -57.33 -52.65 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 110.977 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.578 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 9.6 tpp -68.98 -32.25 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.693 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.19 -52.64 64.71 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.246 0.546 . . . . 0.0 109.885 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 80.6 m-20 -61.25 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.02 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 223' ' ' LEU . 4.8 mp -57.27 -44.82 84.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 217' ' ' MET . 69.3 mtm180 -62.17 -38.62 89.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 110.388 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 222' ' ' THR . . . . . 0.491 HG22 HD11 ' B' ' 695' ' ' ILE . 28.1 m -71.59 -19.99 62.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.562 HD23 HD12 ' B' ' 695' ' ' ILE . 92.6 mt -78.5 -35.01 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 0.0 110.193 173.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.05 -176.872 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 616' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' B' ' 619' ' ' GLU . 45.1 tt0 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.372 0.606 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' B' ' 715' ' ' ASN . 58.6 ttt-85 -65.23 -39.62 92.97 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.096 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 618' ' ' PHE . . . . . 0.417 ' O ' HG23 ' B' ' 622' ' ' VAL . 81.0 t80 -62.39 -40.81 97.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.731 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' B' ' 616' ' ' GLU . 8.5 tp10 -55.03 -41.97 72.05 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.458 175.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.48 ' O ' HD23 ' B' ' 624' ' ' LEU . 80.8 mt -66.01 -41.39 91.07 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 120.878 0.37 . . . . 0.0 110.748 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.51 -43.55 93.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.304 0.573 . . . . 0.0 110.253 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 622' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 618' ' ' PHE . 69.1 t -63.71 -50.62 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.455 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.489 ' HB ' HH11 ' B' ' 672' ' ' ARG . 9.9 p -61.87 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.889 -177.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.574 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 2.1 mm? -60.17 -53.07 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.057 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.7 -44.31 86.52 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.4 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.52 HG22 ' HB2' ' B' ' 669' ' ' ALA . 22.4 m -60.13 -41.75 93.35 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.308 0.575 . . . . 0.0 110.455 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.626 ' O ' HG12 ' B' ' 631' ' ' ILE . 8.1 t30 -65.43 -47.38 76.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.114 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.1 mm? -58.89 -39.07 80.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.7 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.66 92.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.298 0.571 . . . . 0.0 110.044 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 48.2 m -65.96 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.008 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.64 ' CD1' ' HB3' ' B' ' 700' ' ' LEU . 42.1 mm -54.72 -60.63 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 110.633 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 632' ' ' ARG . 22.6 mtm180 -58.77 -42.99 90.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.86 -173.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.671 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.1 p -67.18 -43.62 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.956 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 22.4 mt -72.12 -29.66 64.29 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.501 ' HG2' HD21 ' B' ' 697' ' ' LEU . 81.0 mt-10 -65.61 -38.1 88.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.81 87.48 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.626 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.671 HG12 ' O ' ' B' ' 633' ' ' VAL . 46.9 mm -60.52 -50.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.867 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -68.15 -27.81 66.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 639' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' B' ' 635' ' ' GLU . 79.0 tttt -61.99 -36.16 80.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.704 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -79.87 -49.44 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.044 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.0 -21.64 63.75 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.633 -175.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 9.8 p -9.93 76.26 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.85 1.66 . . . . 0.0 115.352 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 643' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 643' ' ' ARG . 14.5 mtm180 55.33 31.97 17.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.603 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.5 mt -64.51 151.45 44.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.722 0.296 . . . . 0.0 110.733 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 44.5 t -66.46 157.13 32.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.9 62.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.039 0.447 . . . . 0.0 110.763 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -61.53 -41.97 98.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.489 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.0 mt-10 -79.92 -21.68 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.16 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.621 ' HB3' ' HG2' ' B' ' 689' ' ' PRO . 75.7 mt-30 -71.65 -27.33 63.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.292 0.568 . . . . 0.0 109.787 175.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.22 -25.8 47.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.947 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.77 -59.22 2.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.944 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -104.92 99.82 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.556 ' HD2' ' OD1' ' B' ' 655' ' ' ASP . 7.7 ttm180 -131.69 165.15 24.37 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.524 HD11 HG21 ' B' ' 637' ' ' ILE . 3.2 mm? -71.44 0.39 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 655' ' ' ASP . . . . . 0.556 ' OD1' ' HD2' ' B' ' 653' ' ' ARG . 1.1 m-20 -55.61 -54.73 40.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.914 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -99.76 -7.42 25.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 10.2 m -95.85 -46.31 6.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.534 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.564 0.697 . . . . 0.0 109.339 -178.146 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -37.69 19.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.26 -45.62 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 15.4 pt -66.23 -34.71 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -81.91 -36.7 27.82 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.889 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 9.1 tpt180 -61.02 -47.01 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -59.94 -53.35 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.019 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.1 -41.97 93.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.481 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.92 -35.21 69.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.516 ' HG2' ' CB ' ' B' ' 678' ' ' ALA . 27.7 mt-30 -71.36 -23.57 61.93 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.189 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.489 HH11 ' HB ' ' B' ' 623' ' ' VAL . 21.5 ttm180 -63.53 -35.25 79.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.17 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 26.7 pt -98.17 -43.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.81 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -98.4 31.41 2.83 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.305 -0.247 . . . . 0.0 110.865 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -38.43 -49.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.24 -11.07 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' B' ' 680' ' ' ASP . 17.2 mmtp -142.77 31.12 1.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.196 -0.315 . . . . 0.0 111.697 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.516 ' CB ' ' HG2' ' B' ' 671' ' ' GLN . . . -61.71 -38.28 87.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.25 69.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.143 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 680' ' ' ASP . . . . . 0.562 ' HB2' ' HD2' ' B' ' 677' ' ' LYS . 7.8 t70 -80.91 -37.53 29.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 677' ' ' LYS . 42.2 mm -69.77 -47.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.214 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.56 -39.38 75.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 109.977 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.13 -46.69 89.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.074 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 684' ' ' GLY . . . . . 0.442 ' HA2' ' HE2' ' B' ' 687' ' ' LYS . . . -62.39 -41.69 99.75 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.74 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 681' ' ' ILE . 95.9 mt -57.47 -39.02 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.97 0.414 . . . . 0.0 111.261 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -95.91 17.33 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.011 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.442 ' HE2' ' HA2' ' B' ' 684' ' ' GLY . 34.0 ttpt -128.22 -53.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.419 ' HB3' HD12 ' B' ' 691' ' ' ILE . 19.1 m120 -125.6 79.22 67.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.938 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.621 ' HG2' ' HB3' ' B' ' 649' ' ' GLN . 34.0 Cg_exo -57.29 -48.44 17.72 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.079 2.519 . . . . 0.0 112.758 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 42.2 m -72.88 1.77 8.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' B' ' 688' ' ' ASN . 58.3 mt -112.43 -58.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.562 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -68.53 -47.69 66.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -173.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.547 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 97.9 t -57.01 -48.84 96.78 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.547 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.3 Cg_exo -54.54 -41.56 76.13 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 121.704 1.603 . . . . 0.0 112.328 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.562 HD12 HD23 ' A' ' 223' ' ' LEU . 76.9 mt -67.67 -54.69 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.114 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 692' ' ' ALA . 11.1 m -60.01 -34.83 57.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.501 HD21 ' HG2' ' B' ' 635' ' ' GLU . 2.0 tm? -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.41 -50.06 74.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -60.91 -37.49 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 -178.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.64 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 41.1 mt -68.74 -39.37 80.36 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.308 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.454 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.7 OUTLIER -60.98 -44.55 97.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.33 0.586 . . . . 0.0 110.022 174.705 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 9.3 ttt -53.16 -52.88 57.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.323 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -29.13 59.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -177.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -55.36 -55.98 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.102 0.477 . . . . 0.0 110.299 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.2 mt-10 -70.55 -35.96 73.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.709 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.52 -51.67 68.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.0 110.009 175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.574 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 6.0 m0 -68.24 -29.3 68.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.17 -43.41 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.86 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 47.9 mm-40 -62.06 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 710' ' ' ALA . . . . . 0.587 ' HB1' HD23 ' A' ' 207' ' ' LEU . . . -65.15 -51.42 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.296 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.541 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 15.5 tt0 -63.56 -34.81 78.62 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.651 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.699 ' HG3' ' HD3' ' B' ' 716' ' ' LYS . 46.5 ttm105 -63.06 -50.24 71.4 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.185 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.28 94.0 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.201 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.4 -66.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.483 -0.422 . . . . 0.0 112.055 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.561 ' HA ' ' HE ' ' B' ' 617' ' ' ARG . 3.5 m-20 -67.86 -55.2 13.79 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.006 -171.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.699 ' HD3' ' HG3' ' B' ' 712' ' ' ARG . 64.4 tttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -87.33 -36.63 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 70.72 -62.46 0.44 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.464 0.706 . . . . 0.0 111.144 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.6 tp -84.54 161.22 20.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.728 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.555 ' HG ' HD11 ' A' ' 216' ' ' ILE . 0.4 OUTLIER -111.29 162.29 15.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.55 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -54.98 129.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.388 0.43 . . . . 0.0 111.777 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -53.56 -25.17 16.0 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.449 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.4 -40.32 82.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.8 -39.15 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.555 HD11 ' HG ' ' A' ' 211' ' ' LEU . 2.1 mp -57.4 -44.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.021 0.438 . . . . 0.0 109.866 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 67.3 mtt -61.7 -42.48 98.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -35.14 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 98.6 m-20 -63.83 -47.26 81.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 223' ' ' LEU . 10.0 mp -58.63 -41.29 85.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 221' ' ' ARG . 4.2 mmp_? -61.72 -46.59 89.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.442 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 86.8 m -61.05 -37.5 82.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.295 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -55.66 -36.66 67.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.274 0.559 . . . . 0.0 110.411 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.845 179.798 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.954 0.407 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -63.66 -52.16 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.61 -36.68 76.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.248 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.525 ' O ' HG12 ' B' ' 623' ' ' VAL . 9.3 tp10 -57.89 -46.8 84.37 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.023 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.487 ' O ' HD23 ' B' ' 624' ' ' LEU . 2.6 mm? -62.22 -51.96 65.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.39 -172.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.05 -44.46 96.64 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.271 0.558 . . . . 0.0 110.446 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.14 -46.39 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.9 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.525 HG12 ' O ' ' B' ' 619' ' ' GLU . 14.8 p -62.33 -38.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.753 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.556 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -61.5 -46.54 89.56 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.306 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.06 -42.99 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.004 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.574 HG23 ' HB ' ' B' ' 665' ' ' ILE . 35.2 m -60.6 -45.97 92.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.249 0.547 . . . . 0.0 110.422 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.541 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.35 -51.21 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.201 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.9 tt -64.56 -32.32 73.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.969 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.436 0.636 . . . . 0.0 109.847 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.537 HG22 HD23 ' B' ' 634' ' ' LEU . 24.6 m -67.57 -34.48 77.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.092 175.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.541 HG12 ' O ' ' B' ' 627' ' ' ASN . 47.0 mm -58.84 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 173.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 57.0 mtp180 -52.73 -56.69 13.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.1 p -65.82 -41.61 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.806 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.0 mm? -62.8 -46.36 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.359 -0.213 . . . . 0.0 111.508 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.92 -37.69 83.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.387 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.0 77.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.491 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.602 HG12 ' O ' ' B' ' 633' ' ' VAL . 33.3 mm -60.79 -50.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.038 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -62.4 -35.64 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.45 . . . . 0.0 110.791 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -72.44 -33.69 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.744 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -73.62 -44.19 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 96.4 mt -58.01 -35.88 71.89 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.908 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.6 p 43.62 32.59 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 61.24 33.91 18.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.116 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.732 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.9 mt -57.05 161.64 2.95 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.408 172.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 38.4 p -78.07 173.29 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.181 -0.207 . . . . 0.0 110.767 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.12 70.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 647' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' B' ' 647' ' ' GLU . 1.7 mp0 -60.48 -40.5 91.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.964 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.732 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 42.5 mt-10 -79.39 -28.26 41.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.159 -176.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.52 ' OE1' HD22 ' B' ' 641' ' ' LEU . 80.3 mm-40 -72.45 -24.7 61.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.223 0.535 . . . . 0.0 110.306 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.25 22.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.72 -57.3 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.244 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -103.42 100.47 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 15.8 ttp180 -126.44 149.61 49.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.702 -174.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.99 102.24 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.669 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -129.22 -64.18 0.91 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -100.6 -6.43 25.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.156 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -36.28 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.953 -175.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 110.911 -177.745 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 662' ' ' SER . . . . . 0.622 ' HB3' HD11 ' B' ' 665' ' ' ILE . 22.1 m . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -72.33 -50.69 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.59 -43.6 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.301 -175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.622 HD11 ' HB3' ' B' ' 662' ' ' SER . 46.9 pt -66.72 -34.02 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.183 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -69.7 -47.18 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.373 0.606 . . . . 0.0 109.719 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.21 -44.03 85.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -62.18 -40.93 97.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.256 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -63.28 -43.1 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.13 -44.32 92.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.914 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.424 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 95.1 mt-30 -66.54 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.78 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -76.04 -30.35 58.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.679 0.276 . . . . 0.0 111.086 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.459 HG13 ' CD2' ' B' ' 674' ' ' TYR . 47.8 pt -96.13 -20.28 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.281 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.474 ' CD1' HG13 ' B' ' 681' ' ' ILE . 53.9 m-85 -122.34 38.73 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -41.91 -35.58 0.88 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.66 -45.73 13.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -121.55 38.06 4.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.804 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -59.8 -45.7 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.4 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.3 71.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.625 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.34 -36.77 63.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.093 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.7 mm -76.8 -40.11 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.575 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 36.7 mm -56.39 -46.4 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 110.004 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.76 -37.49 76.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.72 -40.12 96.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.592 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.614 HD21 HG11 ' B' ' 696' ' ' VAL . 96.4 mt -62.29 -40.7 97.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.086 0.469 . . . . 0.0 110.494 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.541 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 55.6 mtp180 -84.32 -2.67 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.432 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -93.69 -62.92 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.5 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 6.5 m120 -138.81 92.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.498 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.48 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 30.4 Cg_endo -64.0 -26.0 66.41 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.846 2.364 . . . . 0.0 112.538 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 10.8 p -73.15 -11.92 60.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 0.0 111.285 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 66.6 mt -108.54 -59.42 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.161 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.68 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 72.3 t -56.49 -53.85 59.7 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -174.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 10.5 Cg_endo -55.84 -44.38 48.07 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.817 1.678 . . . . 0.0 112.453 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.06 -53.97 34.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.161 0.505 . . . . 0.0 110.861 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.614 HG11 HD21 ' B' ' 685' ' ' LEU . 2.0 p -64.57 -34.29 68.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.624 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.806 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 0.5 OUTLIER -64.06 -44.14 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.757 177.377 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 698' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 64.0 mttp -58.19 -44.0 87.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.711 0.291 . . . . 0.0 110.767 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.423 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 33.1 mmt180 -61.0 -40.45 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 56.9 mt -63.96 -45.62 88.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.374 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 14.0 mmmm -65.97 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.974 0.416 . . . . 0.0 110.587 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.12 -45.41 92.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.3 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 58.5 mmtt -72.23 -32.81 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.525 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.33 -42.84 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.84 -49.56 76.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.051 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.69 -50.29 73.68 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.134 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.556 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 7.5 m0 -66.98 -31.58 72.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -176.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -65.3 -44.34 88.21 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.624 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.1 -39.86 79.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.408 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.55 47.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.209 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.403 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 58.8 tt0 -59.88 -40.28 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 39.8 ttp-105 -60.53 -53.21 60.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.478 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.76 -46.53 94.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.975 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -88.54 -64.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -74.29 -52.1 13.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -169.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 50.0 tptt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.611 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.393 0.616 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -79.49 116.74 19.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.777 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.506 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 24.0 m-85 -74.28 -45.55 46.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 672' ' ' ARG . 3.8 mm? -74.56 166.85 22.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.185 -176.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 53.1 mt -91.9 160.56 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 167.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 20.4 p -69.09 131.42 44.97 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 213' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 217' ' ' MET . 13.5 t70 -55.86 -33.89 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.755 -175.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.75 -47.68 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.112 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -75.59 -26.19 57.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.529 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.32 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.243 0.544 . . . . 0.0 109.743 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.576 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 73.4 mtp -66.43 -37.39 85.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.077 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -54.87 -49.05 72.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 5.7 t70 -59.74 -52.04 67.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.3 -43.65 75.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.628 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 217' ' ' MET . 36.0 mmt180 -64.29 -41.52 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.428 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -33.26 73.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.23 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 90.6 mt -62.52 -34.02 76.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.489 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.329 0.585 . . . . 0.0 110.226 178.051 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.545 ' HA ' HD12 ' B' ' 620' ' ' LEU . 31.9 ttm105 -58.67 -26.19 63.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.647 174.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -65.78 -43.42 88.85 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.36 -33.24 75.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.752 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' B' ' 617' ' ' ARG . 89.7 mt -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 178.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.26 0.552 . . . . 0.0 109.596 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.66 -47.66 92.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.607 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' B' ' 620' ' ' LEU . 9.0 p -66.83 -33.89 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.009 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.5 mm? -65.7 -39.1 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.114 175.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.43 -49.58 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.152 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.676 HG22 ' HB2' ' B' ' 669' ' ' ALA . 29.3 m -55.13 -43.52 74.21 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.594 0.711 . . . . 0.0 110.125 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.477 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.79 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.625 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.43 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.7 mm? -56.49 -40.79 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.48 85.56 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.365 0.602 . . . . 0.0 110.683 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.551 ' HA ' HG12 ' B' ' 633' ' ' VAL . 33.3 m -72.29 -31.65 65.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.853 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 627' ' ' ASN . 20.0 mm -57.04 -50.84 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.913 172.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 78.8 mtp180 -56.79 -52.34 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.602 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' B' ' 630' ' ' THR . 13.7 p -65.32 -43.04 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.686 -175.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.567 HD23 HD12 ' B' ' 637' ' ' ILE . 30.2 mt -68.41 -36.74 79.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.364 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.54 -40.03 95.96 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.308 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.44 98.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.071 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 81.3 mt -63.35 -53.6 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.817 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 638' ' ' GLN . . . . . 0.532 ' HG2' HG12 ' B' ' 693' ' ' VAL . 0.0 OUTLIER -56.23 -43.46 78.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -176.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -77.09 -24.72 51.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.388 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -75.46 -34.27 60.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.205 0.526 . . . . 0.0 109.864 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.8 mt -67.69 -62.82 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 40.5 m 55.18 39.13 31.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.86 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 643' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 643' ' ' ARG . 32.3 mtm180 68.77 85.94 0.14 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.448 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 54.5 mt -94.57 151.7 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.764 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 3.8 m -72.16 159.07 34.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 646' ' ' ALA . . . . . 0.622 ' HA ' HE21 ' B' ' 649' ' ' GLN . . . -57.13 -37.4 71.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.16 -41.99 97.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.227 0.536 . . . . 0.0 110.054 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.497 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 45.5 mt-10 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.622 HE21 ' HA ' ' B' ' 646' ' ' ALA . 47.7 mt-30 -67.39 -27.24 66.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.511 . . . . 0.0 110.386 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.0 57.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 651' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 36.7 ttpt -63.9 -60.94 2.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.952 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -107.21 103.63 13.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.986 0.422 . . . . 0.0 109.875 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -123.04 148.16 45.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.656 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.526 HD11 HG23 ' B' ' 637' ' ' ILE . 2.5 mm? -76.68 95.9 4.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.855 0.36 . . . . 0.0 111.569 -173.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.49 -38.94 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.27 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -105.6 -17.03 14.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.122 0.487 . . . . 0.0 111.372 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 657' ' ' THR . . . . . 0.415 ' HB ' HD12 ' B' ' 654' ' ' LEU . 1.2 m -67.53 -26.38 66.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.049 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.02 -179.624 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 662' ' ' SER . . . . . 0.709 ' HB2' ' HB ' ' B' ' 665' ' ' ILE . 4.0 p . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.07 -48.34 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.12 -36.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.145 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' B' ' 662' ' ' SER . 67.5 mt -70.25 -44.58 77.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.083 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -69.23 -38.66 78.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 109.993 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -60.94 -54.92 39.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.001 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.66 -34.81 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.458 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.676 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -64.76 -47.31 78.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.928 0.394 . . . . 0.0 110.967 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.515 HD23 HD13 ' B' ' 682' ' ' ILE . 12.9 tp -68.28 -33.45 74.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.061 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.453 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 98.2 mt-30 -73.84 -23.86 59.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.396 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.545 ' O ' HD13 ' A' ' 210' ' ' LEU . 61.6 ttm-85 -80.2 -4.34 52.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.41 HG13 ' CD2' ' B' ' 674' ' ' TYR . 15.7 pt -121.87 -39.83 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.528 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.615 ' CD1' HG13 ' B' ' 681' ' ' ILE . 82.5 m-85 -105.34 23.0 14.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 119.412 -0.327 . . . . 0.0 111.847 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -30.92 -58.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -170.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -24.0 60.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -119.93 27.12 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -59.84 -46.72 88.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.462 -175.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.47 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 111.069 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.3 -41.9 55.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.615 HG13 ' CD1' ' B' ' 674' ' ' TYR . 27.8 mm -80.39 -30.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.229 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.515 HD13 HD23 ' B' ' 670' ' ' LEU . 27.5 mm -56.61 -39.99 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.516 0.674 . . . . 0.0 109.272 171.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -76.47 -27.77 56.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.95 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -54.85 -51.36 53.71 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.677 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.4 -24.15 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.778 0.323 . . . . 0.0 111.829 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -89.77 -45.36 9.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -57.12 -57.52 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.182 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.57 87.83 17.18 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.464 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 19.2 Cg_endo -59.53 -39.27 76.85 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.427 2.084 . . . . 0.0 112.656 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.6 m -77.45 1.15 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.344 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 695' ' ' ILE . 56.9 mt -112.48 -56.07 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.222 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -71.72 -51.76 21.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' B' ' 638' ' ' GLN . 84.6 t -49.18 -50.89 61.15 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -173.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.8 Cg_endo -57.29 -46.8 25.68 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.008 1.805 . . . . 0.0 112.975 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.52 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.5 mt -68.29 -53.21 30.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.25 -43.35 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.956 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' B' ' 634' ' ' LEU . 51.4 tp -65.57 -37.56 87.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.735 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.47 -39.41 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.664 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 36.5 mmt180 -63.53 -37.15 86.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.182 0.515 . . . . 0.0 109.633 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.459 HD22 HD12 ' B' ' 634' ' ' LEU . 45.0 tp -71.96 -29.04 63.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.813 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 64.2 mmtt -73.29 -34.84 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.082 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 57.1 ttp -66.84 -41.32 87.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.335 0.588 . . . . 0.0 109.503 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.65 -35.44 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 27.2 tt0 -53.38 -52.47 59.17 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 109.988 175.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.6 tt0 -54.55 -54.43 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.543 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -56.27 -52.91 62.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.506 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 7.3 m0 -59.94 -41.34 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -70.1 -30.02 67.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -178.35 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 43.4 mm-40 -69.6 -38.22 77.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 710' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' B' ' 714' ' ' PHE . . . -67.53 -39.68 85.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.224 0.535 . . . . 0.0 109.792 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 34.3 tt0 -60.09 -36.23 76.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.3 ttm-85 -55.45 -46.17 76.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.7 -37.07 31.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.193 -175.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 714' ' ' PHE . . . . . 0.438 ' HD2' ' O ' ' B' ' 710' ' ' ALA . 93.8 m-85 -88.76 -61.64 1.66 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.01 0.405 . . . . 0.0 112.081 -177.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.502 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 25.3 t-20 -65.6 -55.02 19.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.503 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 26.7 ttpp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.317 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.746 0.307 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -88.32 137.43 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -73.63 -21.07 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.794 0.331 . . . . 0.0 111.187 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' B' ' 673' ' ' ILE . 6.7 mp -84.5 171.77 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.127 0.489 . . . . 0.0 111.624 -176.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.535 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 62.9 mt -100.75 -169.0 1.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.206 174.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 212' ' ' THR . . . . . 0.482 ' O ' HG13 ' A' ' 216' ' ' ILE . 21.6 p -104.18 138.98 39.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 172.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.85 -38.08 69.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.616 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -57.77 -45.21 86.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.25 -32.47 70.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.323 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.637 HG21 ' HB2' ' B' ' 677' ' ' LYS . 60.8 mt -65.23 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.405 0.622 . . . . 0.0 109.98 175.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.662 ' SD ' ' HE2' ' B' ' 677' ' ' LYS . 87.9 mmm -65.67 -38.78 90.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.606 177.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.3 -40.45 94.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 9.2 t70 -56.48 -55.08 38.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.589 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' B' ' 680' ' ' ASP . 96.0 mt -55.92 -44.89 78.75 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.753 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -59.03 -46.14 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.395 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 87.8 m -63.7 -41.08 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.641 HD23 HD12 ' B' ' 695' ' ' ILE . 89.4 mt -53.99 -38.42 65.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.921 0.391 . . . . 0.0 111.395 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.744 -174.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 616' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 2.2 tp10 . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 121.524 0.678 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' B' ' 620' ' ' LEU . 0.1 OUTLIER -64.25 -38.56 91.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.999 179.007 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 618' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 622' ' ' VAL . 80.1 t80 -59.91 -45.47 92.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.629 ' O ' HG23 ' B' ' 623' ' ' VAL . 42.3 tt0 -62.48 -38.63 90.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.23 177.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 624' ' ' LEU . 93.7 mt -57.7 -46.1 84.81 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.59 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.8 -40.94 97.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.945 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 622' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 618' ' ' PHE . 96.4 t -60.41 -46.52 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 619' ' ' GLU . 84.5 t -56.1 -57.02 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 620' ' ' LEU . 4.4 mm? -58.03 -47.4 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.571 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.89 -46.98 82.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.557 HG22 ' HB2' ' B' ' 669' ' ' ALA . 28.4 m -62.11 -35.08 77.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.297 0.57 . . . . 0.0 109.999 178.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -62.05 -53.52 54.38 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.09 175.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.47 -39.8 73.8 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.445 0.466 . . . . 0.0 111.52 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.2 89.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 110.366 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 41.9 m -68.46 -39.26 81.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.064 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.56 HD11 ' HG ' ' B' ' 700' ' ' LEU . 32.0 mm -58.78 -55.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.482 174.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 632' ' ' ARG . 27.4 mtm180 -56.05 -46.03 79.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.965 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.487 ' O ' HG13 ' B' ' 637' ' ' ILE . 11.6 p -68.58 -44.28 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.221 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.601 HD23 HD12 ' B' ' 637' ' ' ILE . 46.2 mt -67.6 -35.7 79.46 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.265 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.96 -44.43 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.722 0.296 . . . . 0.0 110.229 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.253 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.612 HG21 HD21 ' B' ' 654' ' ' LEU . 95.2 mt -66.17 -52.48 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.178 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.55 -46.83 83.44 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.345 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -72.44 -24.24 61.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.766 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -76.14 -40.2 53.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.087 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.0 mt -59.06 -58.81 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 11.8 p 47.19 41.93 12.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.343 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 643' ' ' ARG . . . . . 0.642 ' HA ' ' OG ' ' B' ' 690' ' ' SER . 71.8 mtp180 65.8 93.71 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.565 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.617 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 78.8 mt -97.6 153.64 18.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.073 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.4 m -80.77 173.96 12.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.736 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.82 79.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 0.0 111.616 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.01 -38.48 86.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.4 mt-10 -68.73 -34.16 75.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.2 mt-30 -72.57 -23.05 60.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.001 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.09 -38.86 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.92 -59.29 3.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.128 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -110.69 105.29 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.702 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 28.4 ttm180 -130.03 160.11 34.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.719 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.612 HD21 HG21 ' B' ' 637' ' ' ILE . 87.2 mt -73.53 83.68 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.268 0.556 . . . . 0.0 111.408 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.72 -74.73 0.62 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.687 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.67 -28.07 19.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.1 m -66.3 -32.06 73.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.372 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.478 HD22 HD13 ' B' ' 654' ' ' LEU . 52.4 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.093 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.771 0.32 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -55.53 -60.27 3.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.074 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.01 -37.16 33.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.612 0.57 . . . . 0.0 111.857 -173.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.54 -51.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.069 0.462 . . . . 0.0 111.0 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -82.32 -32.23 29.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 110.155 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -59.21 -51.07 71.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.443 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -69.07 -41.79 77.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -61.04 -42.17 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 17.0 tp -69.71 -37.12 76.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.32 -23.7 64.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.374 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 210' ' ' LEU . 41.3 ttm180 -60.42 -28.54 68.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.644 0.259 . . . . 0.0 111.01 177.015 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.535 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.1 pt -110.24 -41.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.412 ' CD1' HG23 ' A' ' 216' ' ' ILE . 22.7 m-85 -100.04 27.65 5.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.459 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.93 0.35 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.11 -36.87 72.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.662 ' HE2' ' SD ' ' A' ' 217' ' ' MET . 46.7 mmtm -114.77 26.74 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.366 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.94 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.701 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 680' ' ' ASP . . . . . 0.445 ' HB3' ' CD2' ' A' ' 220' ' ' LEU . 4.2 m-20 -77.9 -41.57 36.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.776 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 50.5 mm -65.1 -47.01 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.063 0.458 . . . . 0.0 110.231 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.84 -38.8 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.68 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 683' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' B' ' 687' ' ' LYS . 17.2 t70 -56.58 -50.16 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.188 172.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.74 99.75 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.368 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.695 HD21 HG21 ' B' ' 696' ' ' VAL . 72.1 mt -56.77 -45.41 82.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 0.0 111.126 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.515 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 65.4 mtp180 -91.93 17.11 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 -177.083 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 683' ' ' ASP . 2.7 tppp? -116.82 -57.87 2.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -133.8 82.64 49.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.937 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.44 -27.74 54.48 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.184 1.923 . . . . 0.0 112.154 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 690' ' ' SER . . . . . 0.642 ' OG ' ' HA ' ' B' ' 643' ' ' ARG . 11.5 t -74.86 -6.13 47.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.237 0.541 . . . . 0.0 110.434 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 68.3 mt -111.54 -53.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.01 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -68.83 -51.06 44.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.622 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.544 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 90.8 t -53.94 -49.3 90.39 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.544 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.3 Cg_exo -55.77 -41.19 79.96 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.697 1.598 . . . . 0.0 112.604 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.641 HD12 HD23 ' A' ' 223' ' ' LEU . 51.4 mt -71.09 -50.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.778 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.695 HG21 HD21 ' B' ' 685' ' ' LEU . 17.9 m -64.19 -35.08 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.87 -36.04 81.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.37 -44.19 92.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.196 0.522 . . . . 0.0 109.759 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -46.84 86.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.059 175.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' B' ' 631' ' ' ILE . 27.0 tp -66.07 -36.44 83.22 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.194 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.68 -42.29 91.45 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.094 0.474 . . . . 0.0 110.411 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -59.84 -46.52 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.097 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -71.43 -32.63 68.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.91 -51.23 70.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 44.0 mt-10 -61.03 -39.05 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.448 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.0 -54.38 47.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.827 0.346 . . . . 0.0 110.115 177.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -61.01 -44.23 97.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.754 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -65.18 -42.21 93.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 25.2 mt-10 -66.47 -37.49 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.468 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.98 -34.2 77.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.573 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.51 -42.79 99.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -67.98 -35.27 83.86 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.067 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -88.67 -64.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.923 0.362 . . . . 0.0 111.74 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -70.12 -56.08 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.314 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 21.2 tptm . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.073 -173.546 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.446 -0.662 0 CA-C-O 121.051 0.453 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.86 -27.25 40.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.176 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.7 ' HB3' ' HD2' ' B' ' 672' ' ' ARG . 85.2 m-85 69.74 -62.36 0.42 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 18.8 tp -62.7 156.83 22.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.786 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 211' ' ' LEU . 4.2 mm? -81.99 164.82 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 171.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 212' ' ' THR . . . . . 0.43 ' O ' HG13 ' A' ' 216' ' ' ILE . 24.6 p -68.1 147.4 52.38 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.009 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.14 -38.58 58.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.43 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.58 -36.91 81.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.267 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.1 -31.01 55.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.595 0.236 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.482 HG12 ' HD1' ' B' ' 674' ' ' TYR . 75.1 mt -59.67 -50.32 80.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.588 0.709 . . . . 0.0 109.719 174.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 40.6 ttm -68.41 -28.11 66.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.637 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.46 -49.88 76.07 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 13.0 m-20 -63.11 -46.36 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.479 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.74 -36.53 79.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.936 0.398 . . . . 0.0 110.325 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.72 -34.02 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.17 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 88.4 m -62.51 -41.02 98.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.174 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 71.4 mt -61.9 -36.86 82.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.274 0.559 . . . . 0.0 110.046 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.673 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -51.46 -46.19 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.577 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.12 -42.49 94.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.798 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 619' ' ' GLU . . . . . 0.405 ' O ' HG12 ' B' ' 623' ' ' VAL . 17.7 tt0 -67.11 -33.67 75.95 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.264 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.65 -49.47 66.1 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.649 0.261 . . . . 0.0 110.574 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.24 -39.63 87.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.277 . . . . 0.0 111.134 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.26 -51.54 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.436 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.414 HG13 HD22 ' B' ' 624' ' ' LEU . 14.2 p -64.34 -39.4 85.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.8 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.0 mm? -64.51 -45.46 87.15 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.042 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.64 -50.8 67.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.768 0.318 . . . . 0.0 110.72 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 626' ' ' THR . . . . . . . . . . . . . 20.3 m -57.58 -43.24 84.41 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.441 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.429 ' O ' HG12 ' B' ' 631' ' ' ILE . 23.4 t-20 -63.65 -49.6 72.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.925 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.14 -38.66 80.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.11 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 110.204 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 35.2 m -66.07 -39.52 90.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.901 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.584 HD11 ' HG ' ' B' ' 700' ' ' LEU . 29.7 mm -57.46 -55.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.72 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -59.24 -42.86 92.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.819 -175.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.528 ' O ' HG13 ' B' ' 637' ' ' ILE . 14.8 p -70.32 -42.0 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.884 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.592 HD23 HD12 ' B' ' 637' ' ' ILE . 38.5 mt -68.29 -38.87 82.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.312 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.58 ' HG2' HD21 ' B' ' 697' ' ' LEU . 2.2 mt-10 -66.78 -34.09 77.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.617 0.246 . . . . 0.0 110.422 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.75 86.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 109.935 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.592 HD12 HD23 ' B' ' 634' ' ' LEU . 96.8 mt -60.33 -51.98 66.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.669 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 638' ' ' GLN . . . . . 0.442 HE22 ' HG3' ' B' ' 694' ' ' PRO . 6.2 tp60 -59.52 -37.27 77.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.866 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -64.77 -34.69 78.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.62 -30.04 33.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 76.1 mt -70.55 -68.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.793 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.8 t 62.24 18.24 9.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.645 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 643' ' ' ARG . . . . . 0.499 ' HA ' ' HB3' ' B' ' 690' ' ' SER . 56.6 mtt85 71.62 92.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.997 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 88.9 mt -101.59 174.34 6.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.0 m -79.88 169.65 17.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.089 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.8 82.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.038 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.31 -40.72 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.971 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.8 mt-10 -79.8 -29.36 40.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -176.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -73.86 -33.6 64.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.7 -21.85 57.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.354 0.597 . . . . 0.0 109.777 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.08 -61.08 2.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.795 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -105.34 88.74 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.448 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' B' ' 686' ' ' ARG . 44.7 ttp180 -107.25 152.16 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.76 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.528 HD21 HG23 ' B' ' 637' ' ' ILE . 52.3 mt -80.51 97.11 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -107.35 -84.07 0.53 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.232 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -74.84 -17.29 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 3.3 m -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.171 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.383 -178.372 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.36 -27.8 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.07 -48.02 79.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.54 -36.45 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.727 0.299 . . . . 0.0 111.034 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 666' ' ' HIS . . . . . 0.45 ' NE2' HG11 ' B' ' 633' ' ' VAL . 74.0 m80 -65.82 -54.04 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.49 -176.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 36.1 ttp180 -71.23 -39.39 71.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.53 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.8 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.52 86.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 0.0 110.536 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 670' ' ' LEU . 0.2 OUTLIER -64.67 -38.25 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 110.014 177.466 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 93.8 mt-30 -72.97 -24.24 60.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.813 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.7 ' HD2' ' HB3' ' A' ' 209' ' ' TYR . 17.6 tpp180 -67.67 -28.06 67.37 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.578 177.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.62 -30.62 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.482 ' HD1' HG12 ' A' ' 216' ' ' ILE . 42.3 m-85 -137.97 52.44 1.86 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.377 0.132 . . . . 0.0 111.173 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -39.79 -54.65 2.08 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.49 -3.13 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.555 ' O ' HG12 ' B' ' 681' ' ' ILE . 7.5 tppt? -141.62 14.31 2.14 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.567 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.5 88.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.43 78.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.859 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.44 -35.62 79.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.298 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 677' ' ' LYS . 41.1 mm -73.16 -37.7 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.624 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.51 -39.97 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.755 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.24 -40.69 98.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.44 -45.59 94.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.115 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.682 HD21 HG11 ' B' ' 696' ' ' VAL . 95.8 mt -59.41 -40.99 88.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.985 0.421 . . . . 0.0 110.765 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.528 ' O ' ' HG3' ' B' ' 653' ' ' ARG . 1.0 OUTLIER -65.46 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.725 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -77.46 -25.78 50.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.646 -168.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.432 ' HB3' HD12 ' B' ' 691' ' ' ILE . 10.4 m120 -130.92 62.68 66.88 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 122.339 -0.225 . . . . 0.0 110.892 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.458 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 32.9 Cg_endo -63.67 -37.93 43.69 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.056 1.837 . . . . 0.0 112.689 -173.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 690' ' ' SER . . . . . 0.499 ' HB3' ' HA ' ' B' ' 643' ' ' ARG . 50.9 m -74.84 -2.69 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.858 -0.526 . . . . 0.0 111.107 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' B' ' 688' ' ' ASN . 42.3 mt -106.19 -62.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.013 177.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.46 -39.26 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.623 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 64.4 t -54.46 -55.23 39.71 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.623 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -53.77 -46.81 30.94 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.101 1.867 . . . . 0.0 112.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.8 -50.91 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.682 HG11 HD21 ' B' ' 685' ' ' LEU . 0.8 OUTLIER -65.83 -34.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -176.718 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.58 HD21 ' HG2' ' B' ' 635' ' ' GLU . 59.0 tp -68.32 -37.0 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.205 177.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.81 -45.26 95.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.434 ' HG3' ' OD2' ' A' ' 219' ' ' ASP . 35.7 mmt180 -65.7 -40.33 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.553 178.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' B' ' 631' ' ' ILE . 31.3 tp -71.43 -33.34 69.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.076 -175.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' B' ' 701' ' ' LYS . 7.7 tptm -70.39 -38.11 74.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.803 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 51.0 ttp -61.62 -45.04 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.076 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.484 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 53.8 mmtt -68.18 -36.36 79.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.245 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.416 ' HG3' HG13 ' B' ' 631' ' ' ILE . 2.8 tm-20 -55.89 -44.6 78.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.78 -47.36 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.372 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.51 -49.15 77.24 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.484 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 6.7 m0 -64.26 -39.28 93.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -35.14 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.982 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.03 -32.8 69.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.4 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.55 -44.74 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -63.1 -35.04 78.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.985 0.421 . . . . 0.0 110.016 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 60.2 ttp180 -65.23 -39.8 93.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.759 174.104 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -61.82 -45.99 95.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.765 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -88.62 -66.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.954 0.377 . . . . 0.0 111.773 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.29 -53.53 42.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 111.865 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 58.3 tptt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.242 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 121.333 0.587 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.56 -40.61 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.584 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.519 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 49.9 m-85 68.53 -59.85 0.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.577 0.751 . . . . 0.0 111.655 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 34.8 tp -68.56 163.65 23.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.121 0.568 . . . . 0.0 111.013 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' B' ' 673' ' ' ILE . 5.5 mt -91.63 139.14 30.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.81 0.338 . . . . 0.0 110.1 173.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.6 m -62.96 137.54 58.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.805 174.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.9 -22.33 47.88 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.754 0.312 . . . . 0.0 111.034 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.71 -55.3 27.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -68.16 -37.66 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.637 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.55 -52.95 55.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.997 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.37 -32.53 73.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.421 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.06 -46.99 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.074 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.23 -50.85 71.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.1 mp -54.82 -46.54 74.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.106 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.66 -37.99 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.7 m -64.01 -46.46 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.744 0.307 . . . . 0.0 110.355 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.83 -31.89 72.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.374 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.767 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 616' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 8.1 tp10 . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -59.76 -36.76 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.365 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.34 -48.16 81.43 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.68 -32.56 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.495 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 92.5 mt -65.62 -44.4 86.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.988 0.423 . . . . 0.0 110.481 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.46 -49.48 77.62 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.104 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.0 -50.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.868 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.7 p -62.82 -40.68 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -63.64 -45.79 88.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.453 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.607 HG22 ' HB2' ' B' ' 669' ' ' ALA . 10.7 m -66.79 -39.47 87.78 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.304 0.574 . . . . 0.0 110.188 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.499 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -58.61 -52.14 66.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.365 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -40.77 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.236 -177.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.56 88.6 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 24.1 m -69.34 -37.25 77.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.511 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.499 HG12 ' O ' ' B' ' 627' ' ' ASN . 32.8 mm -58.58 -50.16 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.173 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -56.23 -50.83 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.604 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.9 p -65.29 -41.7 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.499 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' B' ' 697' ' ' LEU . 32.6 mt -70.04 -38.09 75.76 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.494 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -59.04 -43.26 91.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.96 0.409 . . . . 0.0 110.586 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.604 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.8 mm -65.35 -46.21 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.914 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -55.45 -48.2 74.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -63.38 -37.84 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.416 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 640' ' ' LYS . . . . . 0.499 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 26.3 tttp -73.64 -37.28 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 68.1 mt -69.55 -55.22 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p 50.51 30.01 4.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.163 0.585 . . . . 0.0 111.232 -175.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 62.42 91.85 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.655 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 85.5 mt -94.82 174.01 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.626 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 54.0 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.094 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.27 -49.85 66.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.12 -29.98 71.07 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.655 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.655 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.1 mt-10 -79.43 -34.47 41.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 645' ' ' SER . 78.1 mt-30 -66.65 -32.13 73.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.227 0.537 . . . . 0.0 110.354 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.47 57.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.47 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -73.27 -50.68 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.672 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.499 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 77.8 t80 -102.01 102.19 12.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.212 0.53 . . . . 0.0 110.132 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 12.2 ttp180 -126.16 157.3 38.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.529 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.707 HD12 HD13 ' B' ' 658' ' ' LEU . 1.9 mm? -72.05 91.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -123.08 -57.66 1.68 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -87.95 -50.32 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.9 m -56.59 -50.55 71.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.707 HD13 HD12 ' B' ' 654' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.236 0.393 0 CA-C-O 120.865 0.364 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 663' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' B' ' 664' ' ' VAL . 8.5 pt-20 -63.02 -44.29 96.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 664' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' B' ' 663' ' ' GLU . 8.4 p -66.8 -33.73 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.659 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.19 -57.45 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.217 0.532 . . . . 0.0 110.641 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -70.11 -36.26 74.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.034 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 70.9 ttt180 -62.88 -52.68 62.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.491 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.5 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.057 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.607 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.37 -42.18 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.458 . . . . 0.0 110.511 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.518 HD12 HD11 ' B' ' 673' ' ' ILE . 21.7 tp -72.75 -32.14 65.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.186 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 56.7 mt-30 -68.55 -25.8 65.1 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.575 0.226 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.561 HG21 ' HG2' ' B' ' 703' ' ' LYS . 31.5 pt -100.36 -38.23 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.314 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.499 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 32.0 m-85 -101.25 28.2 5.59 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.34 -34.73 2.07 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.97 -36.19 64.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -136.91 34.5 2.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 111.078 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.19 86.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.84 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -79.68 -47.6 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.796 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.75 -40.22 87.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.582 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.36 -40.03 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.11 -39.62 90.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.315 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.0 92.7 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.195 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.575 HD21 HG11 ' B' ' 696' ' ' VAL . 95.2 mt -62.56 -38.21 89.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.6 177.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.515 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 13.8 tpt180 -81.62 13.6 3.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.925 -175.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -142.9 -48.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.273 -0.267 . . . . 0.0 111.557 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -128.03 85.67 60.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.43 . . . . 0.0 110.429 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.439 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 24.7 Cg_endo -61.1 -54.1 2.07 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.712 2.274 . . . . 0.0 112.815 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 690' ' ' SER . . . . . 0.453 ' HB3' ' CD ' ' B' ' 649' ' ' GLN . 23.1 t -69.73 -2.83 12.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -172.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 62.7 mt -100.29 -56.09 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.23 40.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 50.8 t -54.36 -56.15 29.61 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.3 Cg_endo -55.31 -45.57 39.18 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.892 1.728 . . . . 0.0 112.613 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.628 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 18.4 mt -66.96 -54.84 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -177.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.575 HG11 HD21 ' B' ' 685' ' ' LEU . 3.1 p -62.5 -35.44 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.851 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 634' ' ' LEU . 53.3 tp -63.65 -41.79 98.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.528 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.14 -36.28 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.905 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 28.0 mmt180 -62.59 -46.63 87.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.509 0.671 . . . . 0.0 109.531 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.12 -29.79 68.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.382 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 697' ' ' LEU . 7.9 tptm -69.21 -45.58 69.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -70.43 -31.55 68.77 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.561 ' HG2' HG21 ' B' ' 673' ' ' ILE . 7.8 tptp -68.62 -35.99 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.93 -46.49 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.173 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.34 -33.61 75.03 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -69.43 -44.38 71.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.899 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.519 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 4.6 m0 -64.27 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.613 0.244 . . . . 0.0 110.602 176.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' B' ' 712' ' ' ARG . 20.9 mmt180 -60.0 -44.46 94.52 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.501 172.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.63 -43.57 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.65 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.698 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.18 -39.56 93.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 67.0 mtt180 -61.97 -46.85 87.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.544 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.58 78.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.227 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -89.1 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -67.31 -52.72 37.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.957 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 64.9 tttp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -97.79 -37.08 10.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.721 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 43.1 m-85 69.76 -57.92 0.54 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.901 0.751 . . . . 0.0 111.972 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 672' ' ' ARG . 45.3 mt -75.06 -172.95 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 112.054 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.43 ' HB2' HD11 ' A' ' 216' ' ' ILE . 82.0 mt -126.22 151.52 47.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.219 173.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 63.4 m -68.93 149.58 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.04 -40.99 24.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.021 0.528 . . . . 0.0 112.026 -177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -54.56 -48.11 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.72 -36.59 82.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 216' ' ' ILE . . . . . 0.43 HD11 ' HB2' ' A' ' 211' ' ' LEU . 44.1 mm -62.15 -56.92 14.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 26.4 tpp -66.62 -30.48 70.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.482 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.49 -46.06 80.68 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.978 174.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.657 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 2.2 t70 -59.35 -53.46 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.496 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.82 -50.12 61.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.665 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.02 -36.04 83.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 74.3 m -71.32 -35.3 71.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.846 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.6 mt -61.4 -36.32 79.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.284 0.564 . . . . 0.0 110.592 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.821 179.313 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.269 0.557 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -66.17 -33.72 76.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.153 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -62.16 -40.81 97.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.24 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.18 -40.83 98.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.962 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.434 ' HA ' HG12 ' B' ' 623' ' ' VAL . 92.7 mt -60.73 -45.43 94.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.989 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -65.07 -38.58 91.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.89 -46.7 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.209 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.6 p -68.1 -37.01 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.993 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -67.28 -40.98 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 177.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.518 HG22 ' HB2' ' B' ' 669' ' ' ALA . 15.6 m -63.63 -33.3 75.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.4 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.567 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -60.36 -56.41 21.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 175.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 628' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.86 -40.73 85.17 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.415 0.447 . . . . 0.0 110.529 -178.02 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.21 90.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.222 0.534 . . . . 0.0 110.723 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.491 HG22 HD23 ' B' ' 634' ' ' LEU . 28.3 m -70.29 -34.29 72.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.376 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.567 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.6 mm -58.04 -48.2 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 632' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 63.0 mtt180 -55.26 -54.76 39.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.226 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.5 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.1 p -66.05 -38.12 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.345 -177.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 0.956 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.3 mm? -63.84 -47.85 79.13 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.527 -0.108 . . . . 0.0 111.245 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -59.14 -37.34 77.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.19 66.73 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.5 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.9 mm -63.31 -46.78 94.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.64 -42.43 78.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.264 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -71.45 -40.07 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 640' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 40.7 tttm -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 70.2 mt -73.83 -70.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.768 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.4 m 50.28 40.92 23.54 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.029 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 61.51 92.24 0.05 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.321 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.767 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.3 mt -91.2 154.2 19.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.08 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 645' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 7.7 m -67.77 168.57 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -49.92 -53.16 27.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.139 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.767 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 46.2 mt-10 -71.21 -42.23 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -176.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' B' ' 689' ' ' PRO . 11.8 pt20 -79.28 -21.91 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.79 58.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.636 170.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.73 -51.89 11.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.981 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 652' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 58.6 t80 -102.23 98.51 8.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.614 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.4 ttp180 -116.14 148.84 39.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.447 -177.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 654' ' ' LEU . . . . . 0.469 HD23 HD21 ' B' ' 658' ' ' LEU . 6.6 mp -78.66 141.16 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.964 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 655' ' ' ASP . . . . . 0.432 ' H ' HG22 ' B' ' 657' ' ' THR . 44.3 t0 -172.99 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -94.22 -9.65 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 657' ' ' THR . . . . . 0.432 HG22 ' H ' ' B' ' 655' ' ' ASP . 8.8 t -70.52 -3.57 18.58 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.787 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.469 HD21 HD23 ' B' ' 654' ' ' LEU . 97.6 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.588 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 662' ' ' SER . . . . . 0.422 ' HB3' HD11 ' B' ' 665' ' ' ILE . 6.6 m . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.668 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.0 -41.91 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.832 -174.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' B' ' 662' ' ' SER . 19.3 pt -66.12 -45.36 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.477 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.03 -45.8 76.39 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.945 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.821 ' HG3' HG12 ' B' ' 682' ' ' ILE . 43.6 ttm180 -58.92 -51.58 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.312 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 668' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' B' ' 672' ' ' ARG . 27.5 ttpt -62.4 -36.25 81.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.421 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 669' ' ' ALA . . . . . 0.518 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.86 -43.44 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.829 0.347 . . . . 0.0 110.438 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 24.7 tp -71.9 -27.34 62.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.341 0.591 . . . . 0.0 110.265 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.708 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 93.0 mt-30 -72.82 -23.87 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.493 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.554 ' O ' HD23 ' A' ' 210' ' ' LEU . 52.9 mtp180 -73.41 -6.65 47.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.621 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.752 HG21 ' HG3' ' B' ' 703' ' ' LYS . 35.0 pt -115.63 -35.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.646 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.74 32.19 4.03 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.683 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.89 -58.49 0.52 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -63.48 -42.62 98.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' B' ' 677' ' ' LYS . 64.9 mmtt -109.53 31.05 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 0.0 111.294 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 678' ' ' ALA . . . . . 0.708 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -56.94 -35.39 69.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.535 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.77 83.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.23 -41.24 67.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 681' ' ' ILE . . . . . 0.404 HG12 ' O ' ' B' ' 677' ' ' LYS . 44.6 mm -63.87 -46.49 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.938 0.399 . . . . 0.0 110.712 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 682' ' ' ILE . . . . . 0.821 HG12 ' HG3' ' B' ' 667' ' ' ARG . 1.8 mp -66.02 -36.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.059 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.71 -41.7 98.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 175.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.39 -37.88 95.52 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.505 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.86 HD21 HG21 ' B' ' 696' ' ' VAL . 93.8 mt -59.71 -38.03 80.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.442 0.639 . . . . 0.0 110.713 175.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.572 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 37.4 mtp-105 -88.77 18.57 4.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.548 -176.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 687' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 32.7 ttmt -140.18 -57.7 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 -175.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 688' ' ' ASN . . . . . 0.44 HD22 HD12 ' B' ' 691' ' ' ILE . 8.0 m-20 -121.15 80.18 35.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.353 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' B' ' 649' ' ' GLN . 56.6 Cg_endo -71.11 -36.13 7.79 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.65 2.233 . . . . 0.0 113.075 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 33.6 m -73.36 -0.95 16.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 691' ' ' ILE . . . . . 0.44 HD12 HD22 ' B' ' 688' ' ' ASN . 81.0 mt -117.3 -57.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.455 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -72.55 -45.61 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -173.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' B' ' 696' ' ' VAL . 74.7 t -54.35 -50.51 84.57 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -174.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 80.8 Cg_exo -51.77 -45.54 37.61 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.623 1.549 . . . . 0.0 112.545 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 223' ' ' LEU . 19.4 mt -70.33 -48.68 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.86 HG21 HD21 ' B' ' 685' ' ' LEU . 27.2 m -66.16 -41.24 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 0.956 HD13 ' HB3' ' B' ' 634' ' ' LEU . 33.2 tp -66.59 -37.17 84.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.43 . . . . 0.0 110.039 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 698' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 694' ' ' PRO . 34.8 ttmt -68.21 -43.31 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -67.52 -36.37 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.621 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.88 -34.89 78.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.525 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 2.1 tptm -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.011 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.7 ttp -64.05 -40.36 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.261 0.553 . . . . 0.0 109.574 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.752 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.0 mmtt -70.56 -32.65 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.038 176.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 30.8 tt0 -53.56 -50.36 65.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 172.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 705' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 25.4 mm-40 -55.61 -53.67 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.968 175.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.26 -52.62 62.81 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.642 0.589 . . . . 0.0 111.393 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.721 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 11.0 m0 -67.78 -35.0 77.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.537 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 708' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -64.46 -50.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.423 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 709' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.3 pt-20 -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.747 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.13 75.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 0.0 110.309 174.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -66.58 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.322 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.666 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 28.5 ttm180 -67.52 -41.55 84.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -71.76 -40.15 58.76 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.839 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -88.78 -64.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -76.16 -49.62 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.666 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -176.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 121.413 0.625 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -79.71 89.48 5.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.93 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 209' ' ' TYR . . . . . 0.665 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 51.0 m-85 -68.13 -45.18 74.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.492 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 210' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 42.2 tp -68.08 160.17 29.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.173 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 211' ' ' LEU . . . . . 0.464 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 71.8 mt -99.29 137.7 37.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 7.6 p -62.36 142.59 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.934 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.64 -33.0 44.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.949 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -54.55 -48.56 71.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.61 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -71.62 -34.47 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.736 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.0 -52.23 60.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 110.499 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 217' ' ' MET . . . . . 0.507 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 0.8 OUTLIER -65.08 -36.87 85.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.719 178.429 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.65 -44.35 96.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.414 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 219' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 51.0 m-20 -62.99 -43.85 97.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 220' ' ' LEU . . . . . 0.722 HD11 ' HG2' ' B' ' 677' ' ' LYS . 41.2 mt -60.03 -39.25 85.24 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.248 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 221' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 217' ' ' MET . 87.5 mtt180 -60.35 -47.65 85.16 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.487 0.661 . . . . 0.0 109.916 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 22.4 m -65.51 -29.19 69.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.481 -175.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 223' ' ' LEU . . . . . 0.58 HD23 HD12 ' B' ' 695' ' ' ILE . 94.2 mt -66.38 -15.06 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.823 0.344 . . . . 0.0 111.424 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.239 0.542 . . . . 0.0 110.228 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.237 0.419 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 617' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' B' ' 617' ' ' ARG . 9.8 ttt180 -61.66 -33.18 73.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.826 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -64.25 -39.07 93.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.036 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -70.78 -39.11 73.36 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.624 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 620' ' ' LEU . . . . . 0.52 ' HA ' HG12 ' B' ' 623' ' ' VAL . 97.0 mt -62.41 -46.3 89.21 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.071 0.462 . . . . 0.0 110.712 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.03 -46.54 85.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.729 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.15 -51.04 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.787 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 623' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.5 p -62.74 -38.06 80.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.084 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 624' ' ' LEU . . . . . 0.492 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 1.9 mm? -66.59 -42.09 87.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.738 0.304 . . . . 0.0 110.611 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.39 -48.74 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 626' ' ' THR . . . . . 0.662 HG23 ' HB ' ' B' ' 665' ' ' ILE . 26.8 m -60.23 -39.36 86.43 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.292 0.568 . . . . 0.0 110.315 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 627' ' ' ASN . . . . . 0.5 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.8 t-20 -60.15 -57.73 11.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.407 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.6 -30.95 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.42 75.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 630' ' ' THR . . . . . 0.504 HG22 HD23 ' B' ' 634' ' ' LEU . 28.5 m -67.12 -38.13 85.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 178.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 631' ' ' ILE . . . . . 0.56 HD12 ' HD2' ' B' ' 701' ' ' LYS . 32.1 mm -55.41 -55.12 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -63.1 -40.85 98.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.703 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 633' ' ' VAL . . . . . 0.623 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.9 p -69.92 -37.08 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.524 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 634' ' ' LEU . . . . . 1.026 ' HB3' HD13 ' B' ' 697' ' ' LEU . 1.4 mm? -62.0 -50.07 73.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.636 0.255 . . . . 0.0 110.857 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 635' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 46.0 mt-10 -58.2 -42.4 86.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.94 87.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 637' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 633' ' ' VAL . 43.9 mm -61.35 -45.66 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.934 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -59.95 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.78 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 639' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 68.3 mttm -66.28 -46.7 76.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 178.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -66.54 -28.48 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 641' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 86.8 mt -75.22 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 60.41 26.63 16.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.092 -174.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 61.38 89.08 0.08 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.298 -174.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 644' ' ' LEU . . . . . 0.742 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 94.9 mt -85.83 162.04 18.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.142 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 2.0 m -80.39 173.96 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.947 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -54.58 -48.76 71.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.79 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.766 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 648' ' ' GLU . . . . . 0.742 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.0 mt-10 -75.31 -28.7 59.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.698 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 649' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.6 mt-30 -71.49 -31.73 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.265 174.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.84 58.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -75.18 -59.54 2.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.434 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -110.02 99.97 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 653' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 43.7 ttm180 -120.49 158.6 26.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.478 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 52.5 mt -80.82 133.5 35.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -162.58 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.77 173.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -81.01 -12.71 59.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.723 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 657' ' ' THR . . . . . 0.605 ' HB ' HD12 ' B' ' 658' ' ' LEU . 0.0 OUTLIER -55.79 -45.36 78.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.578 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 658' ' ' LEU . . . . . 0.605 HD12 ' HB ' ' B' ' 657' ' ' THR . 4.9 mp . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.24 90.17 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.21 -40.74 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.997 -175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 665' ' ' ILE . . . . . 0.662 ' HB ' HG23 ' B' ' 626' ' ' THR . 37.4 pt -71.6 -35.45 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.935 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -72.8 -44.56 61.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 667' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 4.7 tpp180 -59.12 -54.43 47.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.589 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -62.11 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.442 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.23 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.569 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 670' ' ' LEU . . . . . 0.65 HD12 HD11 ' B' ' 673' ' ' ILE . 13.6 tp -72.76 -28.98 62.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.136 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 671' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 50.0 mt-30 -75.9 -24.81 55.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.305 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 672' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 64.1 mtp180 -76.46 -10.96 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.001 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 673' ' ' ILE . . . . . 0.65 HD11 HD12 ' B' ' 670' ' ' LEU . 21.4 pt -114.32 -37.28 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.594 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 674' ' ' TYR . . . . . 0.42 ' CD2' HG13 ' B' ' 673' ' ' ILE . 80.2 m-85 -108.13 33.26 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.461 -0.149 . . . . 0.0 110.64 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.12 -52.21 0.77 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.66 -7.29 58.44 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -171.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 677' ' ' LYS . . . . . 0.722 ' HG2' HD11 ' A' ' 220' ' ' LEU . 20.3 tptt -150.78 37.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 110.721 -173.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -76.27 -38.66 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.988 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.86 76.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.194 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.39 -23.72 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 42.1 mm -79.81 -44.59 23.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.35 -41.25 86.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.36 -41.31 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.661 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.23 52.77 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.513 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 685' ' ' LEU . . . . . 0.697 HD21 HG11 ' B' ' 696' ' ' VAL . 94.4 mt -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 111.62 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 686' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 10.5 mpt_? -86.67 17.9 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -177.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -138.2 -50.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.672 0.272 . . . . 0.0 111.133 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -126.71 79.62 71.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.551 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 689' ' ' PRO . . . . . 0.489 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 53.9 Cg_endo -69.44 -19.29 37.86 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.572 2.181 . . . . 0.0 112.9 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 21.5 t -76.3 -17.71 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.2 0.524 . . . . 0.0 109.763 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 45.9 mt -104.25 -63.18 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.063 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 692' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -66.65 -43.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 693' ' ' VAL . . . . . 0.696 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 81.0 t -55.77 -57.18 22.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 119.299 -0.381 . . . . 0.0 111.586 -176.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 694' ' ' PRO . . . . . 0.696 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 84.8 Cg_exo -49.88 -50.4 13.35 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.441 2.094 . . . . 0.0 113.089 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 695' ' ' ILE . . . . . 0.58 HD12 HD23 ' A' ' 223' ' ' LEU . 47.9 mt -62.86 -57.31 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 696' ' ' VAL . . . . . 0.697 HG11 HD21 ' B' ' 685' ' ' LEU . 1.4 p -63.32 -34.79 69.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.584 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 697' ' ' LEU . . . . . 1.026 HD13 ' HB3' ' B' ' 634' ' ' LEU . 37.0 tp -62.29 -47.98 81.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -60.03 -43.14 95.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.71 0.291 . . . . 0.0 111.115 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 699' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' B' ' 702' ' ' MET . 21.5 tpp180 -61.69 -40.75 96.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 109.924 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 700' ' ' LEU . . . . . 0.527 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.8 tp -71.41 -35.96 71.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.69 -178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 701' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 32.3 mmmt -67.72 -41.12 84.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.299 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 702' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -70.41 -32.45 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.022 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 703' ' ' LYS . . . . . 0.437 ' HD3' HD21 ' A' ' 211' ' ' LEU . 7.4 tptm -72.48 -36.22 68.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 704' ' ' GLU . . . . . 0.443 ' OE1' HG21 ' B' ' 631' ' ' ILE . 4.2 tt0 -54.47 -52.52 61.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.261 0.553 . . . . 0.0 110.213 173.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.05 -46.31 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.89 -45.75 92.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 707' ' ' TRP . . . . . 0.665 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 3.6 m0 -62.62 -44.78 95.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.335 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -61.93 -41.08 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.866 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -63.39 -39.13 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.28 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.382 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 711' ' ' GLN . . . . . 0.492 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 1.1 tt0 -60.35 -39.78 88.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.066 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 712' ' ' ARG . . . . . 0.52 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 23.7 ttm180 -63.64 -49.18 74.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.459 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.49 98.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.941 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -87.21 -65.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.738 0.304 . . . . 0.0 111.608 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 715' ' ' ASN . . . . . 0.403 ' ND2' ' HG3' ' B' ' 617' ' ' ARG . 11.0 m120 -78.06 -51.54 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.067 -167.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 716' ' ' LYS . . . . . 0.52 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 14.2 tmtt? . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.472 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.264 0.554 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -95.57 -170.0 2.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.539 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -83.06 -32.81 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.467 0.651 . . . . 0.0 109.42 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -128.73 135.04 48.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.779 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -105.29 123.95 48.72 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 60.7 mt -83.41 82.38 8.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.228 0.537 . . . . 0.0 111.338 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -104.57 114.19 28.25 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.365 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.07 -46.49 4.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.892 0.377 . . . . 0.0 110.744 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 67.2 tp -84.25 134.76 34.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.571 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.97 151.61 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.4 p -72.96 157.95 36.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.081 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.76 -24.37 65.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.878 0.371 . . . . 0.0 110.421 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.72 -55.04 39.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.321 0.581 . . . . 0.0 110.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.17 -44.48 83.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.976 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.653 HG12 ' HD1' ' B' ' 674' ' ' TYR . 67.4 mt -60.29 -51.7 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.492 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 48.2 ttm -65.08 -37.09 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.831 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.5 -42.39 92.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 3.1 t70 -59.34 -51.32 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.512 HD21 ' HD2' ' B' ' 677' ' ' LYS . 11.1 mp -56.87 -45.16 82.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.687 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 217' ' ' MET . 63.7 mtp180 -56.6 -46.39 80.9 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.928 0.394 . . . . 0.0 110.231 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -45.31 81.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.256 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 96.7 mt -56.38 -47.53 78.75 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 111.912 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -84.43 -0.9 54.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.723 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' LYS . . . . . 0.938 ' HE3' ' HA ' ' A' ' 225' ' ' LYS . 0.0 OUTLIER -110.77 -67.79 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.361 179.048 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.753 HD22 HG12 ' B' ' 691' ' ' ILE . 44.8 tp 49.13 82.39 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.354 0.597 . . . . 0.0 110.759 -170.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -103.87 7.72 36.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.189 0.519 . . . . 0.0 111.114 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.257 -178.767 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.873 0.368 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.16 -82.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -104.37 -56.48 2.18 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -153.66 -56.49 0.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.718 171.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -137.66 160.96 37.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.112 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 41.3 mm -74.19 113.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.011 0.434 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -96.96 96.33 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -84.11 157.54 21.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.342 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.43 123.24 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.99 0.424 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.95 -103.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.577 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -117.67 8.58 12.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.798 0.808 . . . . 0.0 109.057 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.82 -47.29 78.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.344 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.11 -42.39 98.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.588 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -56.72 -46.01 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.41 ' O ' HG12 ' B' ' 623' ' ' VAL . 13.0 tp10 -60.47 -46.91 88.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.579 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.5 ' HA ' HG12 ' B' ' 623' ' ' VAL . 4.4 mm? -71.92 -46.02 59.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 111.307 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.46 -46.14 80.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.853 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.2 t -71.0 -47.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.711 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' B' ' 620' ' ' LEU . 12.8 p -66.11 -35.14 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.413 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 2.9 mm? -69.88 -42.84 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.597 0.237 . . . . 0.0 110.66 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.66 -44.57 96.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.134 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.512 HG22 ' HB2' ' B' ' 669' ' ' ALA . 64.2 m -60.74 -42.62 97.71 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.206 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.555 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.72 -56.15 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.401 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.28 -40.94 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.511 0.507 . . . . 0.0 112.038 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.254 0.549 . . . . 0.0 110.646 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.505 ' HA ' HG12 ' B' ' 633' ' ' VAL . 30.9 m -73.31 -33.82 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 627' ' ' ASN . 40.8 mm -58.68 -49.87 81.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 109.915 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -57.36 -55.28 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' B' ' 630' ' ' THR . 8.8 p -64.27 -40.58 89.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.477 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.0 mt -69.48 -44.04 71.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.24 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.425 ' CD ' HD21 ' B' ' 697' ' ' LEU . 7.9 mm-40 -61.93 -34.37 75.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.789 0.328 . . . . 0.0 110.772 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.97 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 36.5 mm -64.29 -45.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 638' ' ' GLN . . . . . 0.557 ' HA ' HD12 ' B' ' 641' ' ' LEU . 23.4 tm0? -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.658 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -39.6 76.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.918 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.77 -28.84 67.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' B' ' 638' ' ' GLN . 96.6 mt -68.03 -60.06 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 42.3 p 48.2 36.55 6.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.108 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 66.41 91.23 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.78 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.9 mt -96.44 160.76 14.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.138 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.0 m -73.77 172.16 12.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.74 80.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.1 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 47.0 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.61 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.528 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 50.5 mt-30 -74.65 -22.72 58.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.188 0.518 . . . . 0.0 109.993 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.15 -43.31 29.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.934 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.26 -62.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.584 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.84 95.77 8.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 40.9 ttm180 -133.58 154.78 50.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.768 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.31 82.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.121 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -90.96 -51.36 5.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.814 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -116.53 -1.43 12.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.542 0.686 . . . . 0.0 109.255 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 657' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 0.7 OUTLIER -79.63 137.72 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.539 -176.281 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 657' ' ' THR . 9.7 mp 69.66 15.61 8.09 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.788 0.68 . . . . 0.0 110.709 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.989 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -131.19 -143.75 5.31 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.89 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 77.33 -74.58 1.88 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.439 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 40.0 p -134.65 -43.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 111.103 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.7 p -89.21 17.03 6.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.754 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.989 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 10.9 pt-20 -65.96 -39.12 90.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.904 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.08 -33.38 42.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.437 HG23 HG23 ' B' ' 626' ' ' THR . 54.6 mt -61.88 -50.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.249 0.547 . . . . 0.0 110.755 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -79.21 -34.61 42.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.663 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 44.0 ttt180 -62.46 -49.63 74.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.213 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.39 -45.57 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.912 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.512 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.613 HD12 HD11 ' B' ' 673' ' ' ILE . 11.5 tp -75.47 -35.36 60.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.36 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 51.7 mt-30 -68.98 -23.54 64.13 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -73.0 -35.21 66.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.116 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.613 HD11 HD12 ' B' ' 670' ' ' LEU . 25.2 pt -92.97 -36.21 7.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.671 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.653 ' HD1' HG12 ' A' ' 216' ' ' ILE . 27.5 m-85 -116.53 40.07 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.982 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.12 -54.93 0.5 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.46 -34.35 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.512 ' HD2' HD21 ' A' ' 220' ' ' LEU . 71.7 mmtt -116.46 29.07 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.54 -172.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.94 90.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.19 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.66 -38.38 90.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 677' ' ' LYS . 30.8 mm -75.79 -41.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.354 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' B' ' 686' ' ' ARG . 31.1 mm -59.08 -46.18 92.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.52 -41.62 85.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.692 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.16 96.56 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.106 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.671 HD21 HG21 ' B' ' 696' ' ' VAL . 88.8 mt -67.31 -32.32 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.111 0.481 . . . . 0.0 110.881 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.459 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 13.6 mmm180 -87.81 11.41 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.98 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' B' ' 687' ' ' LYS . 33.6 ttpt -137.76 -62.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.933 0.396 . . . . 0.0 111.196 -172.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -123.16 84.21 51.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.226 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 44.4 Cg_endo -67.0 -41.2 10.32 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.32 2.013 . . . . 0.0 112.752 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 70.7 m -75.57 -5.26 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.157 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.753 HG12 HD22 ' A' ' 226' ' ' LEU . 42.5 mt -101.45 -60.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.342 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -72.52 -50.42 25.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.557 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 73.6 t -52.35 -51.94 67.7 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 58.8 Cg_exo -53.71 -42.94 62.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.762 1.641 . . . . 0.0 112.52 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.61 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 36.7 mt -70.97 -55.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.671 HG21 HD21 ' B' ' 685' ' ' LEU . 31.4 m -58.74 -37.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' B' ' 701' ' ' LYS . 49.7 tp -64.87 -43.82 91.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.635 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -63.14 -38.74 92.39 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.603 0.239 . . . . 0.0 111.006 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 29.2 mmt180 -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.648 0.737 . . . . 0.0 109.143 174.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.08 -33.27 71.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.614 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 2.8 mmmp? -73.04 -41.17 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.136 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 702' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 699' ' ' ARG . 25.1 ptt? -66.33 -37.0 84.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' B' ' 703' ' ' LYS . 37.5 tptt -71.02 -33.96 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.621 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 24.9 tt0 -56.48 -51.44 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.663 175.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.3 tt0 -63.79 -38.06 89.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.95 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.17 -43.03 93.04 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.833 0.349 . . . . 0.0 110.755 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -63.82 -38.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 0.3 OUTLIER -60.69 -41.05 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 176.533 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.6 mm-40 -58.83 -44.49 90.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.984 0.421 . . . . 0.0 110.431 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.77 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.512 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 31.0 tt0 -64.3 -32.98 74.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.326 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.619 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 33.0 mmt180 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.411 . . . . 0.0 110.094 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -69.89 -47.79 45.14 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.048 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.54 -65.0 1.06 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.512 ' HB2' ' HG2' ' B' ' 711' ' ' GLN . 4.4 m120 -67.76 -47.17 69.95 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.619 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 8.2 tmtt? -65.16 -48.5 73.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.631 -174.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' B' ' 721' ' ' GLN . 90.6 t -65.28 -36.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.891 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -59.49 -44.75 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 4.6 tpm_? -53.95 -51.07 65.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.144 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 48.0 mm-40 -58.32 -54.37 47.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.046 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 33.3 mm-40 -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.741 -174.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.95 -41.33 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.462 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 31.5 mm-40 -80.15 -24.4 40.44 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -85.91 -177.88 6.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.157 0.503 . . . . 0.0 111.507 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -77.78 111.05 13.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.013 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 726' ' ' TYR . . . . . 0.423 ' O ' ' HB2' ' B' ' 727' ' ' LEU . 76.4 t80 -85.51 -13.99 47.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.13 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 727' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' B' ' 726' ' ' TYR . 91.2 mt 73.03 -179.16 0.21 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.746 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -105.1 6.19 33.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.57 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.655 178.267 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.871 0.367 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -93.26 130.97 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.19 95.73 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ALA . . . . . 0.695 ' H ' ' HZ ' ' B' ' 714' ' ' PHE . . . -59.65 141.24 55.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.383 176.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.62 79.82 7.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.734 0.778 . . . . 0.0 110.152 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.6 mt -84.05 103.74 13.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.577 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -84.9 -16.83 39.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.649 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 79.2 m-85 69.39 11.89 8.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.463 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 74.7 mt -110.2 174.94 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 18.2 tp -113.21 151.31 31.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.7 p -66.06 133.28 50.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.962 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.462 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.31 -48.86 80.04 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.38 -41.96 88.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 84.5 mt -55.48 -52.03 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.29 0.566 . . . . 0.0 110.517 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.28 -30.93 71.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.611 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 218' ' ' GLU . . . . . 0.584 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 34.6 tt0 -65.66 -41.27 92.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.128 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 82.0 m-20 -64.28 -46.13 85.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.51 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 223' ' ' LEU . 6.2 mp -55.12 -48.69 73.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 110.886 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.584 ' HE ' ' HA ' ' A' ' 218' ' ' GLU . 63.4 mtm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.3 m -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.389 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 87.7 mt -60.05 -23.07 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -100.76 4.1 42.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.173 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 225' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 221' ' ' ARG . 31.3 mmmt -85.47 -50.52 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.843 0.354 . . . . 0.0 111.313 -178.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.89 81.01 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.88 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -141.19 133.84 28.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.168 0.508 . . . . 0.0 110.799 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.811 177.69 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -118.16 98.78 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 175.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.4 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.292 0.568 . . . . 0.0 109.75 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -135.97 154.78 50.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.958 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 68.61 91.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.658 0.599 . . . . 0.0 110.544 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' ILE . . . . . 0.419 ' N ' HD12 ' B' ' 610' ' ' ILE . 3.1 mp -100.58 116.55 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -113.93 129.79 56.57 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -85.78 88.63 7.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -171.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 64.5 m 62.51 95.15 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 166.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.27 -45.06 3.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.652 170.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.0 -14.01 62.5 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.432 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 7.1 tp10 -70.48 -48.89 53.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.943 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -42.92 83.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.273 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG23 ' B' ' 622' ' ' VAL . 86.5 t80 -57.86 -43.82 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.376 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.68 -30.7 69.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.652 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 65.3 mt -60.62 -48.82 80.08 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.688 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.88 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.045 0.45 . . . . 0.0 110.343 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 622' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 618' ' ' PHE . 69.0 t -62.87 -51.18 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.771 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.476 HG13 HD22 ' B' ' 624' ' ' LEU . 14.1 p -64.02 -39.58 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.5 HD12 ' NE ' ' B' ' 708' ' ' ARG . 2.2 mm? -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.683 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.05 -41.66 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.261 0.553 . . . . 0.0 110.464 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.696 HG23 ' HB ' ' B' ' 665' ' ' ILE . 77.2 m -67.17 -46.08 75.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.194 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.514 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.0 t30 -66.52 -45.48 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.605 ' HB2' HH21 ' B' ' 708' ' ' ARG . 2.8 tm? -60.26 -40.44 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.35 84.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.336 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.547 HG22 HD23 ' B' ' 634' ' ' LEU . 18.9 m -68.97 -38.51 79.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.47 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.522 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 46.1 mm -53.52 -53.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.351 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -64.51 -39.05 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.172 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.582 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.4 p -72.2 -35.39 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.554 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.801 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.7 mm? -65.3 -43.46 91.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.449 0.166 . . . . 0.0 110.753 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 631' ' ' ILE . 45.5 mt-10 -58.78 -38.41 78.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.188 0.518 . . . . 0.0 110.147 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.66 -41.07 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.576 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.3 mm -64.67 -46.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.123 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.29 -39.89 73.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.633 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 639' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' B' ' 639' ' ' LYS . 53.3 mmtt -67.23 -46.57 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.368 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -67.27 -30.66 70.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.19 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 92.9 mt -68.43 -43.14 77.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.768 176.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 56.25 19.71 4.09 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.697 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 48.59 54.59 10.32 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.402 0.62 . . . . 0.0 111.761 -172.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' B' ' 641' ' ' LEU . 51.1 mt -65.15 175.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.051 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 10.6 t -77.79 172.17 13.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.56 79.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -65.44 -31.02 71.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.371 0.605 . . . . 0.0 109.737 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 43.5 mt-10 -78.53 -31.9 47.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.851 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.54 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 79.7 mm-40 -67.85 -30.71 70.15 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.241 0.544 . . . . 0.0 110.175 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.23 -33.52 61.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.3 -59.42 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -90.85 90.83 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.8 ttp180 -111.55 149.38 31.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.474 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.785 HD23 HD21 ' B' ' 658' ' ' LEU . 5.5 mp -75.75 60.29 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.263 0.554 . . . . 0.0 109.986 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.32 -59.39 2.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.959 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -131.73 23.84 4.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.112 0.958 . . . . 0.0 108.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 -14.4 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.9 -172.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.785 HD21 HD23 ' B' ' 654' ' ' LEU . 85.0 mt -83.32 -0.22 48.74 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.463 ' HA3' ' HB2' ' B' ' 662' ' ' SER . . . 124.43 -23.3 6.42 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.353 173.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 66.23 -94.62 0.22 Allowed Glycine 0 C--O 1.229 -0.175 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.309 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 55.1 m -67.94 -35.77 78.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.193 0.52 . . . . 0.0 109.63 172.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 662' ' ' SER . . . . . 0.463 ' HB2' ' HA3' ' B' ' 659' ' ' GLY . 36.7 m -77.01 -6.41 52.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.992 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' B' ' 667' ' ' ARG . 42.6 tt0 -77.02 -23.34 52.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.714 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.07 -46.3 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.696 ' HB ' HG23 ' B' ' 626' ' ' THR . 18.9 pt -71.32 -41.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.631 0.253 . . . . 0.0 111.461 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 666' ' ' HIS . . . . . 0.424 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.6 m170 -68.96 -47.12 66.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.766 0.793 . . . . 0.0 109.801 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.536 ' HB2' ' HG2' ' B' ' 663' ' ' GLU . 21.1 ttt180 -65.64 -36.44 83.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.531 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.56 -47.1 67.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 110.675 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.501 HD11 HG22 ' B' ' 696' ' ' VAL . 18.6 tp -66.97 -37.06 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.446 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 50.5 mt-30 -72.22 -24.17 61.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.83 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.424 ' HE ' ' HB3' ' A' ' 209' ' ' TYR . 31.5 ttt180 -68.09 -46.52 70.75 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.334 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.733 HG21 ' HG2' ' B' ' 703' ' ' LYS . 27.3 pt -75.77 -38.6 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.221 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.493 ' CD1' HG13 ' B' ' 681' ' ' ILE . 63.0 m-85 -92.73 27.89 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.812 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.94 2.03 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.593 0.961 . . . . 0.0 113.593 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.37 -38.71 65.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.59 45.99 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.967 -170.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.446 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -71.91 -26.45 62.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.237 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.07 66.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.794 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.69 -34.67 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.127 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.493 HG13 ' CD1' ' B' ' 674' ' ' TYR . 23.0 mm -70.38 -45.88 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.501 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.439 HD13 HD23 ' B' ' 670' ' ' LEU . 46.6 mm -58.54 -40.4 78.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.49 -36.51 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.751 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.23 -37.39 91.75 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.384 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.525 HD21 HG11 ' B' ' 696' ' ' VAL . 92.3 mt -57.51 -30.71 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.627 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 10.9 mpt_? -86.69 -12.94 46.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.676 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.83 -44.69 5.7 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.836 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -148.49 94.14 4.22 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 110.269 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.588 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 42.7 Cg_endo -69.2 -21.0 36.71 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.859 2.373 . . . . 0.0 112.514 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 16.2 t -69.56 -27.12 64.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.262 0.553 . . . . 0.0 110.026 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' A' ' 223' ' ' LEU . 57.2 mt -93.53 -63.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.936 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.04 89.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.678 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 83.4 t -56.2 -57.19 24.09 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.4 Cg_exo -56.02 -43.43 56.79 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.949 1.766 . . . . 0.0 112.542 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.09 -55.41 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.177 0.513 . . . . 0.0 110.686 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.525 HG11 HD21 ' B' ' 685' ' ' LEU . 1.5 p -65.93 -34.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.704 -173.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' B' ' 634' ' ' LEU . 39.9 tp -69.12 -36.46 77.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.507 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -72.03 -38.56 69.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -62.77 -42.08 99.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.355 0.598 . . . . 0.0 109.577 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.522 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 23.1 tp -67.25 -35.23 79.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.84 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -47.57 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.948 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 45.2 ttp -59.01 -43.72 91.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.705 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.733 ' HG2' HG21 ' B' ' 673' ' ' ILE . 39.7 tptt -69.96 -37.09 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.427 -178.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -55.85 -51.58 67.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.882 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 45.1 mt-10 -59.77 -43.11 94.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.95 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.88 -52.25 66.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.974 0.416 . . . . 0.0 110.314 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.649 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 1.9 m0 -63.18 -34.72 78.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.367 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.605 HH21 ' HB2' ' B' ' 628' ' ' LEU . 30.6 mmt180 -68.56 -33.11 73.51 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.132 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 45.2 mt-10 -81.28 -30.0 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.681 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.24 69.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.616 ' HG3' ' HB3' ' B' ' 715' ' ' ASN . 58.1 tt0 -62.14 -39.24 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.62 174.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.603 ' O ' HG23 ' B' ' 717' ' ' VAL . 77.2 ttt180 -50.82 -50.7 55.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.677 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -72.6 -45.44 36.09 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.421 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 714' ' ' PHE . . . . . 0.695 ' HZ ' ' H ' ' A' ' 205' ' ' ALA . 93.4 m-85 -89.86 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.616 ' HB3' ' HG3' ' B' ' 711' ' ' GLN . 24.8 t-20 -75.79 -49.4 18.19 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -168.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 8.5 tmtt? -63.6 -48.71 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 712' ' ' ARG . 31.8 t -63.18 -39.28 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.404 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 718' ' ' TRP . . . . . 0.451 ' HB2' ' O ' ' B' ' 714' ' ' PHE . 11.7 t90 -60.06 -40.3 88.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.061 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 11.0 tpt180 -61.89 -44.55 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 175.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 21.2 mm-40 -53.89 -42.72 68.96 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.168 0.509 . . . . 0.0 110.255 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 6.7 mm-40 -69.41 -36.29 76.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.861 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -76.81 -17.68 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.573 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 25.1 mm-40 -80.22 -8.15 59.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 724' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' B' ' 721' ' ' GLN . 9.6 mtmp? -101.19 167.62 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 41.66 86.04 0.02 OUTLIER 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.855 1.347 . . . . 0.0 113.469 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.79 130.59 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.44 117.35 28.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.225 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.95 -18.64 61.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 110.369 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.251 1.141 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 173.344 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 69.63 112.46 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.795 0.684 . . . . 0.0 111.685 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.52 -14.89 59.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -105.67 -176.86 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.315 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 63.84 91.03 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.718 0.636 . . . . 0.0 110.357 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 710' ' ' ALA . 76.3 mt -108.97 148.79 30.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.841 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.99 91.15 3.55 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -66.4 -26.6 67.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.626 -177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.436 HD13 ' O ' ' B' ' 672' ' ' ARG . 4.6 mm? -88.0 168.63 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.904 175.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.703 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 30.5 tp -108.35 146.88 32.33 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 22.4 m -64.8 131.68 47.46 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.848 0.356 . . . . 0.0 110.782 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.65 -43.46 84.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.845 -172.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -68.18 -39.48 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.062 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.503 HG12 HD23 ' A' ' 211' ' ' LEU . 74.2 mt -61.99 -47.79 91.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.369 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 53.2 mtt -59.9 -38.71 83.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.282 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.63 -46.66 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.248 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 81.9 m-20 -62.16 -50.11 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.472 HD21 ' HD2' ' B' ' 677' ' ' LYS . 10.7 mp -55.62 -50.5 70.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.066 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 221' ' ' ARG . 30.7 mtm180 -63.31 -29.71 70.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 61.8 m -71.48 -46.38 59.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.316 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.6 mt -55.97 -49.48 73.46 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -67.52 -18.82 65.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.887 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -95.26 -7.18 39.62 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.758 ' HB3' HD12 ' B' ' 691' ' ' ILE . 87.2 mt -106.92 91.12 3.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.9 0.381 . . . . 0.0 111.352 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 62.3 173.94 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.39 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.437 178.858 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 44.8 t30 72.83 126.56 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.463 0.649 . . . . 0.0 111.272 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.32 -8.44 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.581 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.1 -19.1 65.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 41.3 m80 64.32 43.12 4.89 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.447 0.467 . . . . 0.0 110.406 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 13.1 pt -89.11 97.28 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.603 0.716 . . . . 0.0 111.459 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -112.42 83.91 1.88 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.292 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -126.05 98.38 5.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.927 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 613' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' B' ' 616' ' ' GLU . 82.2 m -115.98 120.93 40.75 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.865 0.364 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.69 -15.7 57.06 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -76.72 -4.29 42.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' B' ' 613' ' ' CYS . 4.3 tp10 -65.77 -45.72 81.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.276 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -75.72 -34.43 60.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.734 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 622' ' ' VAL . 75.3 t80 -63.83 -47.25 81.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.77 -31.07 71.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.043 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.515 ' HA ' HG12 ' B' ' 623' ' ' VAL . 29.9 tp -66.69 -43.93 83.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 109.961 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.19 -42.88 99.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.935 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 622' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 618' ' ' PHE . 74.8 t -63.92 -50.97 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.274 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.9 p -64.71 -34.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 C-N-CA 121.321 -0.152 . . . . 0.0 111.111 -176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' B' ' 707' ' ' TRP . 2.6 mm? -67.23 -40.12 86.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.517 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.91 -44.95 72.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.78 0.324 . . . . 0.0 110.449 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.565 HG22 ' HB2' ' B' ' 669' ' ' ALA . 89.8 m -58.15 -44.77 88.05 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.326 0.584 . . . . 0.0 110.096 175.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.43 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.8 t-20 -63.18 -54.48 36.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.922 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 2.4 mm? -53.47 -45.3 69.53 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.338 0.399 . . . . 0.0 111.365 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.48 82.72 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.737 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.485 ' HA ' HG12 ' B' ' 633' ' ' VAL . 58.4 m -70.8 -40.51 72.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.161 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.536 HD12 ' HD2' ' B' ' 701' ' ' LYS . 32.5 mm -51.77 -51.15 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 172.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.49 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 2.1 mmp_? -57.16 -50.7 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.585 -178.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' B' ' 630' ' ' THR . 9.0 p -68.5 -36.16 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.063 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.923 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.1 mm? -60.23 -51.81 67.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 177.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.46 -36.26 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 636' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' B' ' 640' ' ' LYS . . . -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.742 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 32.8 mm -69.62 -40.72 79.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.861 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.55 -34.95 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -65.92 -44.12 86.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.052 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 640' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 636' ' ' ALA . 14.4 mmmm -62.76 -38.1 89.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.454 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.1 mt -66.68 -68.75 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.282 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.2 m 55.4 34.0 22.05 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 61.64 80.83 0.21 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.051 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.4 157.47 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.522 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 69.4 p -76.85 175.74 9.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.76 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.21 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.462 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.15 -29.8 57.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.49 -24.5 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.83 -26.34 44.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.15 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.248 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -106.35 105.59 15.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.734 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 33.9 ttm180 -134.95 159.72 40.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.635 ' HA ' ' OG1' ' B' ' 657' ' ' THR . 8.7 mp -76.18 27.74 0.12 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -172.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -83.22 -22.86 33.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 110.278 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -120.85 8.13 10.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.655 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 657' ' ' THR . . . . . 0.635 ' OG1' ' HA ' ' B' ' 654' ' ' LEU . 0.1 OUTLIER -109.17 -167.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.628 -175.185 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 92.9 mt 75.83 -41.67 0.44 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.105 0.962 . . . . 0.0 111.199 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . 101.44 131.44 7.39 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.935 173.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -92.28 9.69 75.73 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 9.8 t -99.43 -9.32 23.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.403 0.62 . . . . 0.0 109.925 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 14.6 p -154.08 28.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.608 ' O ' ' HD3' ' B' ' 667' ' ' ARG . 0.5 OUTLIER -64.7 -40.4 95.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.653 -177.308 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.69 -37.84 54.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.715 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.61 -43.22 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.718 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -73.6 -38.11 65.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.133 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' B' ' 663' ' ' GLU . 9.6 mpt_? -61.32 -46.29 90.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.244 174.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -64.22 -39.04 93.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.24 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.565 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.79 -42.38 99.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.25 -41.9 76.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.92 -23.39 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.573 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' B' ' 672' ' ' ARG . 4.8 tpm_? -56.47 -47.26 79.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.701 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 211' ' ' LEU . 11.6 pt -104.96 -41.91 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.999 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.82 32.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.325 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.27 -59.46 0.3 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -94.18 -1.09 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.472 ' HD2' HD21 ' A' ' 220' ' ' LEU . 45.7 mmtm -129.88 21.26 5.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.3 93.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.29 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.52 -40.95 80.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.04 -48.03 76.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' B' ' 685' ' ' LEU . 93.3 mt -63.65 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.71 -42.19 88.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.972 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -66.5 -40.16 94.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.489 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.607 HD21 HG21 ' B' ' 696' ' ' VAL . 95.9 mt -59.27 -40.66 86.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.431 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 79.4 mtp180 -89.28 17.52 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.133 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -126.12 -56.24 1.45 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.886 0.374 . . . . 0.0 110.197 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.43 ' HB3' HG12 ' B' ' 691' ' ' ILE . 84.5 m-20 -132.19 92.96 27.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.094 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.35 -31.13 22.98 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.568 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 77.5 p -71.68 -16.37 62.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.248 0.547 . . . . 0.0 110.178 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.758 HD12 ' HB3' ' A' ' 226' ' ' LEU . 37.4 mm -98.68 -63.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.113 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -70.52 -49.11 51.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.555 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.559 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 88.6 t -54.45 -51.21 80.17 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.559 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.1 Cg_exo -54.53 -45.67 39.18 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.654 1.57 . . . . 0.0 112.027 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 75.8 mt -64.33 -52.19 58.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.607 HG21 HD21 ' B' ' 685' ' ' LEU . 29.5 m -65.03 -38.82 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.388 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' B' ' 634' ' ' LEU . 46.1 tp -61.67 -40.61 95.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 698' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 54.1 mtpt -68.65 -42.51 77.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.816 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.438 ' HE ' ' CG ' ' A' ' 219' ' ' ASP . 21.7 mmt180 -58.98 -47.52 84.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.392 0.615 . . . . 0.0 110.022 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' B' ' 631' ' ' ILE . 34.0 tp -66.12 -31.26 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.82 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.536 ' HD2' HD12 ' B' ' 631' ' ' ILE . 9.3 tptp -76.09 -40.36 53.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.173 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 702' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' B' ' 705' ' ' GLU . 0.0 OUTLIER -73.2 -31.71 64.36 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.351 0.596 . . . . 0.0 109.837 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.484 ' HG2' HG21 ' B' ' 673' ' ' ILE . 12.1 tptp -69.56 -33.83 73.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 34.7 tt0 -61.13 -42.06 97.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' B' ' 702' ' ' MET . 52.6 mt-10 -51.26 -50.15 59.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.453 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -57.63 -49.59 75.93 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.435 ' HB3' HD21 ' B' ' 624' ' ' LEU . 8.5 m0 -64.54 -30.41 71.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.546 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 26.3 mmt180 -69.18 -33.78 73.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 17.2 mm-40 -64.49 -43.62 93.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.142 0.496 . . . . 0.0 109.732 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 710' ' ' ALA . . . . . 0.543 ' HB2' HD21 ' A' ' 207' ' ' LEU . . . -67.12 -48.23 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.859 176.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.47 -39.91 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.026 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.618 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 22.2 tpt180 -61.38 -53.69 53.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.578 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.44 93.68 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.298 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.62 -66.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.945 0.372 . . . . 0.0 111.949 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.93 -55.24 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 111.74 -169.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.618 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 23.1 tptp -59.97 -47.55 85.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.871 -174.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 712' ' ' ARG . 17.3 t -66.38 -44.99 90.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.589 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.08 -43.07 81.81 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.252 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -62.25 -48.48 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.667 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 59.8 mt-10 -69.46 -18.74 63.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.716 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.1 -62.11 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.922 0.391 . . . . 0.0 111.431 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -70.8 -41.09 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.873 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -81.05 -2.52 48.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.405 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -90.03 103.48 16.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.423 . . . . 0.0 110.073 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -105.07 158.64 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.674 -175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -124.01 111.14 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 94.7 mt -126.93 77.18 1.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -148.73 138.34 21.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.624 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.111 177.094 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.04 126.64 17.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.451 0.643 . . . . 0.0 111.233 177.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ALA . . . . . 0.599 ' HA ' ' HZ ' ' B' ' 714' ' ' PHE . . . -151.72 158.68 43.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.692 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -101.99 -31.22 10.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.074 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 64.96 83.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.665 0.745 . . . . 0.0 110.209 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' B' ' 710' ' ' ALA . 1.7 pt? -123.53 155.8 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -120.4 114.77 22.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.415 0.626 . . . . 0.0 111.239 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.501 ' HE2' HG11 ' B' ' 623' ' ' VAL . 96.5 m-85 -72.38 -39.98 67.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 63.3 tp -90.4 150.31 21.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.427 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.4 HD12 ' CE1' ' B' ' 674' ' ' TYR . 62.9 mt -96.62 158.65 15.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 11.1 p -73.92 162.66 28.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.889 -0.142 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.34 -48.89 36.02 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.591 0.557 . . . . 0.0 110.784 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 218' ' ' GLU . 37.4 tt0 -52.71 -40.37 62.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.38 -41.41 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.532 HG13 ' HD1' ' B' ' 674' ' ' TYR . 1.8 mp -60.15 -50.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.985 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.566 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 1.1 mpt? -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 218' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 214' ' ' GLU . 2.4 tp10 -60.77 -37.45 81.9 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.211 0.529 . . . . 0.0 110.426 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 223' ' ' LEU . 11.2 mp -60.28 -38.88 84.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.045 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 217' ' ' MET . 32.5 mmt180 -55.54 -49.26 73.12 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.281 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 35.7 m -61.88 -37.8 85.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.008 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.461 HD23 HG22 ' B' ' 691' ' ' ILE . 77.1 mt -60.17 -31.89 70.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.323 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -91.19 -22.13 20.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.354 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -96.61 -2.81 44.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.647 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.576 HD12 HG12 ' B' ' 691' ' ' ILE . 0.4 OUTLIER -81.61 115.14 20.75 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.169 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.488 ' HB2' ' NZ ' ' A' ' 227' ' ' LYS . 9.7 mtmp? -99.44 156.77 16.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.071 0.463 . . . . 0.0 111.394 -173.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.532 175.856 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.984 0.421 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -147.8 175.66 10.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.932 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -78.24 137.25 38.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.478 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 70.52 154.99 0.14 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.889 0.743 . . . . 0.0 110.14 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 -72.01 107.39 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.52 0.676 . . . . 0.0 111.015 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 61.8 mt -100.94 130.58 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.41 130.32 34.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.279 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -91.31 120.26 32.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 85.1 m -96.18 -20.58 18.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.31 0.576 . . . . 0.0 109.666 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' B' ' 614' ' ' GLU . 1.4 mp0 -69.51 -36.25 76.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.747 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -101.51 21.47 14.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.096 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 5.9 tp10 -62.25 -34.08 75.83 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.706 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -56.17 -51.88 66.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.766 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.89 -42.37 98.99 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.437 ' O ' HG12 ' B' ' 623' ' ' VAL . 11.2 tp10 -62.48 -35.01 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.239 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 42.8 mt -66.01 -43.65 87.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.752 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.03 -51.38 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.717 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.501 HG11 ' HE2' ' A' ' 209' ' ' TYR . 14.4 p -64.61 -35.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.364 -0.135 . . . . 0.0 111.208 -176.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -67.32 -41.77 84.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.691 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.59 -43.87 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.023 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.476 HG23 ' HB ' ' B' ' 665' ' ' ILE . 86.0 m -58.39 -42.17 86.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.526 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.523 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -58.39 -59.95 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.018 175.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.66 -35.75 63.87 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.656 0.598 . . . . 0.0 111.973 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 629' ' ' ALA . . . . . 0.637 ' HA ' HH21 ' B' ' 632' ' ' ARG . . . -58.75 -58.67 7.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.419 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' B' ' 634' ' ' LEU . 13.3 m -65.86 -29.89 70.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.982 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.658 HD13 ' HB3' ' B' ' 700' ' ' LEU . 23.8 mm -55.08 -55.68 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.061 0.458 . . . . 0.0 110.478 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.637 HH21 ' HA ' ' B' ' 629' ' ' ALA . 68.5 mtm180 -63.49 -37.24 86.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.167 -176.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 629' ' ' ALA . 16.3 t -63.98 -50.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 0.0 110.203 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.673 HD13 HG13 ' B' ' 693' ' ' VAL . 0.2 OUTLIER -62.2 -45.1 94.89 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.411 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.425 ' HG2' HD21 ' B' ' 697' ' ' LEU . 38.7 mt-10 -63.24 -38.65 92.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.713 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.44 83.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.68 HG21 HD21 ' B' ' 654' ' ' LEU . 45.2 mm -64.37 -46.32 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.59 -37.05 74.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.146 0.498 . . . . 0.0 110.647 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.98 -35.77 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.848 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.42 -25.48 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 689' ' ' PRO . 64.3 mt -75.98 -70.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 23.3 t 53.67 42.3 31.88 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.999 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 71.14 96.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.316 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 66.7 mt -109.21 155.09 21.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.972 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 13.9 m -71.32 167.83 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.68 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.06 75.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 0.0 111.539 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.39 -31.48 72.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.194 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 31.7 mt-10 -79.76 -22.26 43.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' B' ' 690' ' ' SER . 66.5 mt-30 -70.02 -32.84 71.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 172.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -77.44 -27.17 52.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.232 171.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 651' ' ' LYS . . . . . 0.502 ' HB3' ' HA ' ' B' ' 648' ' ' GLU . 36.1 ttmt -66.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.262 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -103.2 98.4 8.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.616 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.703 ' HG3' ' HD3' ' B' ' 689' ' ' PRO . 38.5 ttp-105 -125.66 161.07 28.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.418 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.68 HD21 HG21 ' B' ' 637' ' ' ILE . 64.5 mt -74.32 82.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.352 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.48 -62.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -144.78 9.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.071 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.9 m -66.85 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.215 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.613 HD13 HD22 ' B' ' 654' ' ' LEU . 1.5 mp -86.52 -17.9 32.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -154.17 97.78 0.17 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.447 -1.358 . . . . 0.0 113.813 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -84.24 -77.11 1.16 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 170.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 12.1 p -123.23 13.3 9.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.217 0.532 . . . . 0.0 110.803 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 9.5 p -134.32 42.39 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.563 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.613 ' OE2' ' HB2' ' B' ' 667' ' ' ARG . 3.5 tm-20 -85.19 -35.25 21.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -173.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.9 p -49.19 -45.07 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.476 ' HB ' HG23 ' B' ' 626' ' ' THR . 17.2 pt -62.18 -30.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.877 0.37 . . . . 0.0 111.914 -177.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 666' ' ' HIS . . . . . 0.489 ' CE1' HG21 ' B' ' 633' ' ' VAL . 51.8 m-70 -79.1 -47.28 16.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.613 ' HB2' ' OE2' ' B' ' 663' ' ' GLU . 11.6 ttm180 -63.29 -38.84 92.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.894 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.78 -44.41 96.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.58 -43.93 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.682 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.91 -39.4 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 48.6 mt-30 -68.83 -23.63 64.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.366 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -83.45 -31.85 26.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.662 0.267 . . . . 0.0 110.968 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.5 pt -90.46 -34.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.586 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.532 ' HD1' HG13 ' A' ' 216' ' ' ILE . 30.8 m-85 -117.78 36.11 4.44 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.879 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 675' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -34.0 -44.34 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.46 -31.74 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -139.71 36.39 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.515 0.674 . . . . 0.0 110.395 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.538 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -65.3 -34.15 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.273 -177.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.42 -29.32 68.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.445 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.27 -43.27 70.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.125 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 33.6 mm -67.6 -33.33 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.114 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.4 mm -56.36 -47.03 81.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.34 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.68 -37.73 65.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.28 91.78 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.936 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.686 HD21 HG21 ' B' ' 696' ' ' VAL . 47.4 mt -59.16 -38.8 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 111.154 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -92.61 12.9 21.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.503 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.595 ' HB2' ' HZ3' ' B' ' 687' ' ' LYS . 0.3 OUTLIER -115.29 -46.62 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.583 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -145.98 97.67 4.49 Favored Pre-proline 0 N--CA 1.45 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.703 ' HD3' ' HG3' ' B' ' 653' ' ' ARG . 47.6 Cg_endo -68.29 -37.42 13.95 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.836 2.357 . . . . 0.0 112.948 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 690' ' ' SER . . . . . 0.441 ' CB ' ' HG2' ' B' ' 649' ' ' GLN . 15.6 t -72.19 -10.53 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.256 -0.278 . . . . 0.0 111.188 -174.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.576 HG12 HD12 ' A' ' 226' ' ' LEU . 36.8 mt -102.65 -57.75 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.984 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.615 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.51 -45.17 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.673 HG13 HD13 ' B' ' 634' ' ' LEU . 52.9 t -54.32 -50.87 82.44 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.54 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 78.2 Cg_exo -52.01 -41.35 64.64 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.076 1.851 . . . . 0.0 112.58 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 23.7 mt -67.13 -56.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.147 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.686 HG21 HD21 ' B' ' 685' ' ' LEU . 3.2 m -63.5 -30.03 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.901 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' B' ' 634' ' ' LEU . 3.3 tm? -59.43 -50.04 75.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -63.42 -39.58 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.394 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 19.7 mmt180 -62.29 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.595 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' B' ' 631' ' ' ILE . 20.8 mt -63.95 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.413 ' HE2' HG23 ' B' ' 631' ' ' ILE . 28.9 mmtp -72.95 -38.11 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.574 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.24 -47.25 81.84 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 109.701 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 21.4 mmtp -69.44 -30.62 68.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.535 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 31.9 tt0 -60.19 -50.99 71.5 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -52.36 30.38 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 175.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -60.98 -49.97 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.465 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.6 m0 -69.29 -20.63 63.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.938 -177.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 15.7 mmt180 -74.35 -36.18 63.61 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.2 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.03 -34.44 77.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.184 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 710' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 207' ' ' LEU . . . -71.88 -48.21 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -60.56 -54.61 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.774 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 21.6 mtm180 -73.27 -16.39 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.189 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.73 -57.45 2.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.287 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 714' ' ' PHE . . . . . 0.599 ' HZ ' ' HA ' ' A' ' 204' ' ' ALA . 90.9 m-85 -90.92 -64.64 1.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.42 -52.59 60.87 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -168.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.774 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 15.2 tppt? -59.76 -55.61 32.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 712' ' ' ARG . 42.9 t -57.0 -46.85 84.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.65 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.08 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 12.3 ttm180 -62.42 -46.95 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 47.3 mm-40 -60.65 -41.96 96.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.12 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.614 ' HB3' ' HG ' ' B' ' 727' ' ' LEU . 2.2 mp0 -70.19 -38.05 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.325 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -65.28 -38.84 91.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 48.8 mm-40 -62.87 -34.24 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -176.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -102.1 7.0 41.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.834 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 3.5 t80 52.43 39.39 27.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.034 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 726' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' B' ' 728' ' ' LYS . 49.4 t80 -145.9 103.95 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.12 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 727' ' ' LEU . . . . . 0.614 ' HG ' ' HB3' ' B' ' 721' ' ' GLN . 5.8 mp -94.52 18.11 11.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.807 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 728' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' B' ' 727' ' ' LEU . 25.4 tptp 73.1 122.43 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.914 0.759 . . . . 0.0 111.339 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.665 176.184 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.886 0.375 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -156.77 85.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -84.48 94.35 8.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.283 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -101.85 22.02 13.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.624 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -81.09 99.5 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.466 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.49 HD11 ' HB1' ' B' ' 710' ' ' ALA . 90.4 mt -97.65 147.93 23.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 208' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 209' ' ' TYR . 66.3 t30 -101.25 -47.45 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.702 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 208' ' ' ASN . 79.9 m-85 70.13 161.53 0.22 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.93 0.769 . . . . 0.0 111.305 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 38.4 tp 65.24 167.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.426 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 210' ' ' LEU . 87.7 mt -105.91 150.18 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 37.1 p -75.67 165.18 25.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.835 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.85 -37.46 71.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.373 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.7 -50.49 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.663 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -60.01 -48.59 81.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.826 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.17 -50.04 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.13 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 35.6 tpp -66.05 -30.44 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.261 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 218' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 221' ' ' ARG . 7.6 tp10 -59.92 -46.5 89.16 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.873 175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -43.11 94.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.39 -43.5 88.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.986 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 217' ' ' MET . 55.6 mtm180 -65.25 -40.74 94.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.977 0.418 . . . . 0.0 110.142 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.469 HG22 HD13 ' B' ' 695' ' ' ILE . 26.1 m -62.93 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.181 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.482 HD23 HG22 ' B' ' 691' ' ' ILE . 75.6 mt -55.43 -39.19 69.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.331 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.97 7.85 22.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.394 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -95.91 -25.47 15.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.056 0.455 . . . . 0.0 110.09 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' B' ' 691' ' ' ILE . 6.9 mp -100.6 -24.49 14.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -103.49 139.11 39.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.102 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 171.656 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 606' ' ' ASN . . . . . 0.622 ' HB3' ' HB ' ' B' ' 610' ' ' ILE . 13.0 m-80 -92.72 133.52 35.94 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.24 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.447 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 608' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' B' ' 609' ' ' HIS . 0.0 OUTLIER -92.93 -56.0 3.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.246 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.413 ' H ' ' CD ' ' B' ' 608' ' ' GLU . 69.4 m80 -113.45 -16.74 12.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 610' ' ' ILE . . . . . 0.622 ' HB ' ' HB3' ' B' ' 606' ' ' ASN . 2.7 mp -90.91 121.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.977 0.418 . . . . 0.0 110.679 -176.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.472 ' HE1' ' HH2' ' B' ' 718' ' ' TRP . 26.7 t80 -116.4 121.1 40.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 612' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' B' ' 613' ' ' CYS . 29.9 mmm180 -98.09 149.39 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.266 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 613' ' ' CYS . . . . . 0.683 ' HB3' ' HB2' ' B' ' 616' ' ' GLU . 96.5 m 71.53 150.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 110.561 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -95.27 -78.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.974 0.416 . . . . 0.0 110.438 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' B' ' 618' ' ' PHE . 20.1 m-20 -116.57 44.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.997 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.683 ' HB2' ' HB3' ' B' ' 613' ' ' CYS . 4.8 tp10 -63.48 -52.0 63.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.753 0.787 . . . . 0.0 109.57 -175.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.437 HH12 ' CD ' ' B' ' 723' ' ' GLU . 30.0 ttm180 -66.26 -44.13 84.51 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.623 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' B' ' 615' ' ' ASP . 81.7 t80 -57.17 -47.79 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.661 ' O ' HG23 ' B' ' 623' ' ' VAL . 37.8 tt0 -58.42 -43.89 88.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.511 ' O ' HD23 ' B' ' 624' ' ' LEU . 1.9 mm? -58.81 -51.98 67.66 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 -175.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.25 -36.52 81.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.282 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.43 -44.75 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.791 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 619' ' ' GLU . 91.8 t -57.73 -48.56 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.681 0.277 . . . . 0.0 110.35 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 620' ' ' LEU . 4.2 mm? -62.54 -44.06 97.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.016 -175.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.9 -44.5 89.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.073 0.463 . . . . 0.0 110.304 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 669' ' ' ALA . 42.4 m -61.45 -40.0 92.9 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.488 0.661 . . . . 0.0 110.187 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.526 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.07 -55.31 34.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.469 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -34.47 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.36 79.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.171 0.51 . . . . 0.0 110.377 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.458 ' HA ' HG12 ' B' ' 633' ' ' VAL . 20.1 m -69.67 -33.44 72.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.1 mm -59.07 -56.23 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -60.49 -40.37 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.121 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.56 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.5 p -68.58 -41.56 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.098 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 46.3 mt -67.73 -43.88 78.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.387 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.488 ' HA ' HD11 ' B' ' 697' ' ' LEU . 35.0 mt-10 -63.74 -34.47 77.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.361 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.1 84.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 0.0 110.268 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.678 HG21 HD21 ' B' ' 654' ' ' LEU . 46.2 mm -61.18 -51.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.19 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.18 -28.83 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.098 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -73.43 -33.8 65.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.307 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.61 -33.93 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.291 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' B' ' 689' ' ' PRO . 89.7 mt -69.37 -70.76 0.26 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 50.7 m 45.94 53.12 9.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.351 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 66.76 81.03 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.775 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.5 mt -104.78 155.75 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.607 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 15.2 m -79.76 164.31 23.78 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.33 -38.64 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 111.55 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.02 -45.02 91.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.315 0.579 . . . . 0.0 110.557 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.593 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 32.9 mt-10 -70.92 -31.57 68.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.461 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.596 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 78.4 mt-30 -73.18 -26.85 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.778 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.28 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.368 0.604 . . . . 0.0 109.381 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 651' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' B' ' 651' ' ' LYS . 35.8 ttpt -63.05 -49.48 74.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.674 176.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -124.15 98.98 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.046 0.45 . . . . 0.0 110.407 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 649' ' ' GLN . 28.4 ttm180 -127.08 158.46 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.887 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.678 HD21 HG21 ' B' ' 637' ' ' ILE . 53.4 mt -62.02 128.93 38.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.528 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.65 -81.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.531 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -86.46 -8.76 57.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.8 p -71.23 -37.36 72.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.168 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.17 -24.78 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.015 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -100.24 -157.33 28.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.319 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 87.1 -142.83 18.5 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.101 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 10.7 t -77.07 -13.69 59.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.186 0.517 . . . . 0.0 110.621 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 23.0 m -105.57 20.59 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.412 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.91 -48.23 54.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.3 p -52.98 -47.64 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.155 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.98 -34.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 111.552 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.72 -42.21 51.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.539 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -68.71 -39.87 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 668' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' B' ' 672' ' ' ARG . 22.4 ttmm -62.46 -50.17 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.234 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.439 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.14 -36.65 82.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' B' ' 670' ' ' LEU . 0.2 OUTLIER -65.08 -37.78 88.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -73.67 -23.69 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.279 -0.263 . . . . 0.0 111.123 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 668' ' ' LYS . 21.2 mmm180 -72.27 -6.75 45.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.748 0.309 . . . . 0.0 111.018 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.624 HG22 ' HG3' ' B' ' 703' ' ' LYS . 12.3 pt -125.19 -47.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -116.48 39.06 3.23 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 122.388 -0.195 . . . . 0.0 110.659 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.85 -60.11 0.32 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.25 -10.0 58.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -129.36 23.72 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.08 86.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -175.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.363 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.96 -47.99 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 109.982 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.48 -49.15 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.63 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.461 ' HA ' HD12 ' B' ' 685' ' ' LEU . 95.0 mt -62.51 -38.83 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.99 -32.63 67.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -64.77 -33.36 87.02 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.899 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' B' ' 682' ' ' ILE . 86.8 mt -60.91 -35.22 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.114 0.483 . . . . 0.0 110.144 173.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.447 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 46.5 mmm-85 -77.6 -32.54 53.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.899 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -64.9 -55.41 19.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -152.64 102.5 2.71 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.99 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' B' ' 641' ' ' LEU . 42.5 Cg_endo -67.52 -29.55 36.96 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.0 2.466 . . . . 0.0 113.407 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 88.5 p -72.59 -13.93 61.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.847 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 226' ' ' LEU . 66.6 mt -99.8 -66.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.93 81.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.673 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.0 t -53.43 -56.08 28.12 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.673 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 48.0 Cg_exo -58.23 -41.83 62.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.042 1.828 . . . . 0.0 113.358 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.469 HD13 HG22 ' A' ' 222' ' ' THR . 26.9 mt -69.39 -51.01 46.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.424 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.84 -31.1 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.251 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 2.5 tt -65.7 -48.23 72.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.953 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 698' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 55.3 mttp -63.03 -38.71 92.28 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.84 -42.71 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.271 0.558 . . . . 0.0 109.923 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 53.1 tp -69.14 -31.85 70.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.617 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.498 ' HD2' HD12 ' B' ' 631' ' ' ILE . 8.3 tptp -70.55 -37.04 73.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.99 -41.39 91.93 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.552 0.691 . . . . 0.0 109.805 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.624 ' HG3' HG22 ' B' ' 673' ' ' ILE . 52.4 mmtt -73.0 -29.38 62.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.09 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.95 -47.11 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 38.5 mt-10 -54.71 -49.07 71.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.884 175.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.11 -55.97 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.337 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.9 m0 -65.98 -42.2 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.496 ' HA ' HD11 ' B' ' 624' ' ' LEU . 31.8 tpt180 -68.24 -38.08 81.46 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.659 -176.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -68.33 -34.39 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 710' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 207' ' ' LEU . . . -63.44 -46.82 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.51 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 16.5 tt0 -65.08 -41.23 95.21 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 109.794 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.45 -49.01 77.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.408 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.78 -47.12 6.42 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.221 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 714' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' B' ' 718' ' ' TRP . 86.0 t80 -89.94 -65.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.205 0.502 . . . . 0.0 111.927 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 24.9 t-20 -57.0 -58.03 9.94 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -169.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -62.79 -51.29 67.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 65.4 t -64.3 -33.78 64.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 718' ' ' TRP . . . . . 0.472 ' HH2' ' HE1' ' B' ' 611' ' ' TYR . 3.2 t90 -64.91 -37.45 87.69 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 18.0 mtp180 -64.4 -51.09 64.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 720' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.96 -19.34 60.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.82 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' B' ' 717' ' ' VAL . 58.0 mt-30 -90.33 -49.46 6.53 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.31 -44.87 18.82 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 3.6 mm-40 -70.66 -26.43 63.45 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.167 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -100.16 143.62 30.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.951 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 725' ' ' TYR . . . . . 0.594 ' HB3' ' HB3' ' B' ' 729' ' ' SER . 53.2 m-85 -70.56 137.1 49.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.215 -177.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 726' ' ' TYR . . . . . 0.429 ' CD2' ' HG ' ' B' ' 727' ' ' LEU . 17.5 t80 -135.67 120.44 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.732 -172.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 727' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' B' ' 726' ' ' TYR . 71.0 mt 67.73 30.87 6.22 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.785 171.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -164.18 -34.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 729' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' B' ' 725' ' ' TYR . 8.2 t . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.699 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -74.68 -22.43 58.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -111.2 26.72 10.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.818 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . 61.08 -165.54 0.22 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.826 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -156.19 111.21 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.2 mt -80.22 78.86 6.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -87.02 -48.08 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.999 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.423 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 54.6 m-85 69.58 -71.43 0.12 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.895 0.747 . . . . 0.0 111.27 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.66 156.08 38.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.533 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 63.1 mt -97.13 132.01 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 169.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.8 m -65.81 156.67 32.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.411 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.45 -47.48 27.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -173.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -64.73 -25.89 68.13 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.02 -52.35 29.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' B' ' 677' ' ' LYS . 76.1 mt -59.01 -47.54 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.662 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.556 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 46.9 ttm -60.45 -41.67 94.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.851 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.65 -46.69 80.9 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.629 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 87.4 m-20 -60.38 -48.32 82.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.482 HD12 HD11 ' B' ' 681' ' ' ILE . 8.3 mp -55.56 -40.03 71.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.986 0.422 . . . . 0.0 111.321 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 217' ' ' MET . 2.7 mmp_? -79.27 -17.14 55.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 64.0 m -84.86 -40.34 17.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.285 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.1 mt -56.82 -43.11 80.69 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.244 0.545 . . . . 0.0 110.94 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -90.67 13.88 14.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.353 0.597 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -107.34 -27.21 10.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.966 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.718 HD12 HG23 ' B' ' 691' ' ' ILE . 84.1 mt -83.34 39.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -83.67 103.87 13.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.963 0.411 . . . . 0.0 110.367 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.54 174.197 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.744 0.307 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -143.92 118.96 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 0.0 109.878 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.57 59.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.29 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.16 -171.39 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.333 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -93.15 -14.14 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.017 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 47.6 mm 73.16 108.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 O-C-N 123.87 0.732 . . . . 0.0 111.988 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -138.87 84.98 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.281 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 612' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 612' ' ' ARG . 13.9 mmm180 -101.48 162.44 12.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.756 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 17.4 t 58.93 66.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.792 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.04 8.99 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.304 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 6.6 t0 70.48 99.87 0.06 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.878 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.58 -39.02 74.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.092 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.99 -42.67 97.12 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.529 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -52.5 -44.86 65.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.03 -46.51 87.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.97 -43.1 59.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.185 0.517 . . . . 0.0 111.82 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 621' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' B' ' 625' ' ' GLU . 5.7 t0 -63.22 -47.2 83.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.69 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.03 -45.27 91.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.556 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.441 HG13 HD22 ' B' ' 624' ' ' LEU . 14.5 p -61.79 -38.95 81.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.023 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -66.54 -46.76 75.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.266 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 625' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 621' ' ' ASP . 43.7 mm-40 -62.67 -45.87 90.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.257 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.587 HG22 ' HB2' ' B' ' 669' ' ' ALA . 25.1 m -60.68 -40.15 91.06 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.32 0.581 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.57 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -59.54 -55.78 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.267 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.494 HD23 HH21 ' B' ' 708' ' ' ARG . 1.0 OUTLIER -58.56 -42.97 89.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.971 -175.445 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.04 92.4 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 110.768 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 32.0 m -69.07 -35.7 76.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.656 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.4 mm -56.96 -49.28 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -53.6 -55.75 23.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.534 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.689 ' O ' HG12 ' B' ' 637' ' ' ILE . 13.4 p -65.1 -38.62 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.174 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.881 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.1 mm? -62.3 -48.57 79.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.59 0.233 . . . . 0.0 111.492 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.66 -32.54 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.291 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.56 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.673 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.689 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.4 mm -63.82 -52.89 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.84 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.44 -34.1 72.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.53 -49.01 78.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.702 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.72 -38.5 83.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -61.82 -60.15 4.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.933 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 48.9 m 58.7 23.37 11.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.842 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 643' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 643' ' ' ARG . 32.4 mtp-105 67.57 91.73 0.09 Allowed 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.791 0.682 . . . . 0.0 110.972 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.62 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 93.1 mt -101.39 164.94 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 15.3 t -74.49 167.48 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.092 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.57 -50.12 63.6 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.84 -33.93 75.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.616 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.62 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 49.2 mt-10 -74.19 -32.76 63.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.95 -25.4 63.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.332 0.586 . . . . 0.0 110.655 176.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.95 -33.04 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.32 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 651' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 4.4 tmmm? -73.42 -59.17 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.006 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.77 97.68 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 24.0 ttm180 -122.19 159.84 26.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.658 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.582 ' HG ' HD12 ' B' ' 658' ' ' LEU . 2.3 mm? -82.72 85.87 6.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.263 0.554 . . . . 0.0 111.237 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -114.33 -27.88 7.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.623 172.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -83.18 -3.24 57.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.637 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 15.3 t -159.16 171.21 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.435 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.582 HD12 ' HG ' ' B' ' 654' ' ' LEU . 72.1 mt 62.72 17.21 9.6 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.647 0.592 . . . . 0.0 110.653 -172.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -170.51 150.16 13.87 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 84.64 -95.62 1.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.885 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 20.1 p -79.32 124.61 28.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.786 0.326 . . . . 0.0 111.484 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 20.3 m 66.17 19.34 11.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.0 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.44 -25.78 57.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.257 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.65 -48.6 59.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.64 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.5 pt -70.34 -32.83 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.425 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.03 -42.15 27.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.018 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.653 ' HG3' HD13 ' B' ' 682' ' ' ILE . 56.8 ttm-85 -65.27 -42.62 93.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -65.54 -38.53 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.587 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -65.78 -40.07 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.469 HD12 HG12 ' B' ' 682' ' ' ILE . 85.6 mt -71.89 -35.56 69.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -70.78 -24.31 62.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.75 0.31 . . . . 0.0 110.749 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -65.43 -36.99 85.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.852 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.559 HG21 ' HG3' ' B' ' 703' ' ' LYS . 17.7 pt -101.24 -34.25 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.983 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.423 ' CD2' HG13 ' B' ' 673' ' ' ILE . 81.3 m-85 -105.38 32.28 4.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.13 -40.22 0.2 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.08 -49.65 9.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 216' ' ' ILE . 74.5 mmtt -118.88 33.52 5.61 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.68 70.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.674 0.273 . . . . 0.0 111.492 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -54.4 -37.89 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.358 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -86.47 -29.7 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.108 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 220' ' ' LEU . 45.0 mm -70.79 -45.21 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.012 0.435 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.653 HD13 ' HG3' ' B' ' 667' ' ' ARG . 91.9 mt -64.51 -44.2 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.094 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.75 -33.78 75.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.01 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.09 43.67 Favored Glycine 0 C--N 1.333 0.405 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.902 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.39 -34.11 76.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.38 . . . . 0.0 111.362 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 58.2 mtp180 -98.95 17.06 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.418 ' HG2' ' OD1' ' B' ' 688' ' ' ASN . 32.5 ttpt -128.79 -53.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.455 ' HB3' ' HB ' ' B' ' 691' ' ' ILE . 19.8 m120 -128.82 83.48 66.06 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.736 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.561 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 35.6 Cg_endo -64.96 -39.28 25.27 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.181 1.921 . . . . 0.0 113.382 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 7.6 t -79.56 0.85 28.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.209 0.528 . . . . 0.0 110.342 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.718 HG23 HD12 ' A' ' 226' ' ' LEU . 63.1 mt -111.74 -61.19 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.674 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.94 35.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.229 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 55.2 t -48.85 -55.33 20.74 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.2 Cg_endo -56.94 -43.51 53.45 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.827 1.685 . . . . 0.0 112.79 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.523 HD12 HD23 ' A' ' 223' ' ' LEU . 60.0 mt -68.75 -53.26 27.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.888 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.11 -38.78 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.362 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.881 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.1 tt -63.81 -44.37 93.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.28 -35.83 80.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.819 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.422 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 37.1 mmt180 -62.99 -37.52 87.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.177 0.513 . . . . 0.0 109.866 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 67.6 mt -66.08 -32.57 74.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.999 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.52 -34.95 67.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.743 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 4.7 ttm -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 109.754 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.559 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.8 mmtt -72.63 -29.89 63.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.298 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.08 -50.08 70.05 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.3 -48.5 78.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.49 -55.36 35.59 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.423 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 17.3 m0 -68.06 -34.37 76.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.997 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.494 HH21 HD23 ' B' ' 628' ' ' LEU . 33.3 mmt180 -68.19 -35.64 78.32 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.838 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.46 -36.28 65.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.769 0.319 . . . . 0.0 110.385 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.27 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.244 0.545 . . . . 0.0 109.924 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -63.35 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.117 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.628 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 44.0 ttt180 -54.15 -40.04 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.315 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -70.87 -52.56 14.13 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.746 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -89.16 -67.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.94 -35.12 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.628 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 4.2 tmtm? -62.37 -51.52 67.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.34 -41.76 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.611 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.45 -47.69 75.65 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.414 . . . . 0.0 110.953 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 719' ' ' ARG . 32.6 tpt85 -60.4 -43.22 96.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 26.7 mt-10 -72.34 -29.48 63.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.232 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -80.5 -11.12 59.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.673 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.77 -35.54 33.09 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.76 -63.34 1.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.747 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -96.13 155.28 16.82 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -124.56 -178.45 4.13 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -78.73 104.54 9.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.102 0.477 . . . . 0.0 110.835 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.7 mt -81.51 165.27 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.154 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 728' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' B' ' 728' ' ' LYS . 11.8 mptt -114.55 172.56 6.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.583 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.873 179.714 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -114.9 109.06 17.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.666 0.27 . . . . 0.0 110.326 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -87.08 165.54 15.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.655 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' B' ' 710' ' ' ALA . . . -128.51 178.93 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -98.64 130.25 45.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.272 -176.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.547 ' HB3' ' HE2' ' A' ' 209' ' ' TYR . 95.5 mt -109.48 98.56 7.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.609 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -95.4 -58.79 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.226 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.547 ' HE2' ' HB3' ' A' ' 207' ' ' LEU . 89.8 m-85 71.69 -50.04 0.69 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.292 0.637 . . . . 0.0 112.214 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 48.1 tp -86.41 168.37 13.86 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.431 ' N ' ' HG ' ' A' ' 210' ' ' LEU . 91.4 mt -114.0 145.04 42.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 4.0 m -60.74 147.56 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.719 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.13 -40.39 46.03 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.0 -46.75 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.756 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.53 -47.56 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.77 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.481 HG12 ' HD1' ' B' ' 674' ' ' TYR . 59.2 mt -56.56 -49.68 76.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.182 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.5 ' HG2' ' HD3' ' A' ' 221' ' ' ARG . 48.2 ttm -72.8 -28.7 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.664 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.62 -49.3 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.7 m-20 -58.11 -52.25 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 47.2 tp -55.25 -40.69 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.908 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.5 ' HD3' ' HG2' ' A' ' 217' ' ' MET . 11.5 mtp180 -73.18 -38.75 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.44 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.701 ' HA ' ' HD2' ' A' ' 225' ' ' LYS . 95.3 m -64.82 -30.27 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.124 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -59.21 -19.66 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.321 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -103.82 -6.56 21.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' LYS . . . . . 0.701 ' HD2' ' HA ' ' A' ' 222' ' ' THR . 60.4 mttm -89.24 -14.81 35.07 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -4.91 16.59 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -143.35 89.49 2.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.158 0.504 . . . . 0.0 110.166 173.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.054 -177.863 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -99.19 21.23 12.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 0.0 110.171 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 64.47 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.367 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -94.44 -17.44 22.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -171.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 25.4 t60 65.51 93.04 0.07 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -169.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.74 119.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.46 0.647 . . . . 0.0 110.99 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -85.27 62.02 7.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.285 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -120.49 -20.22 7.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 1.1 p -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.322 0.582 . . . . 0.0 110.125 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -80.52 2.85 23.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.219 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.35 13.15 3.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.886 0.851 . . . . 0.0 109.613 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -77.87 -33.77 51.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.366 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -61.65 -38.34 87.37 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.343 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.79 -48.64 69.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.041 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.95 -42.27 99.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.253 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.504 ' HA ' HG12 ' B' ' 623' ' ' VAL . 3.9 mm? -64.58 -45.57 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.434 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.49 -42.62 98.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.156 0.503 . . . . 0.0 109.941 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.27 -45.36 86.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.562 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.2 p -68.87 -37.01 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.236 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -65.79 -45.09 83.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.84 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.87 -50.12 73.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.479 0.657 . . . . 0.0 109.804 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.712 HG23 ' HB ' ' B' ' 665' ' ' ILE . 94.5 m -63.82 -43.7 95.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.549 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.519 ' OD1' ' HA ' ' B' ' 704' ' ' GLU . 3.4 t-20 -56.29 -59.37 5.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.022 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.494 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.5 tt -65.91 -30.37 70.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.725 -173.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 629' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 633' ' ' VAL . . . -60.29 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 109.842 173.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 14.4 m -63.39 -34.68 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.445 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.532 HD12 ' HD2' ' B' ' 701' ' ' LYS . 33.3 mm -52.39 -52.71 23.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.156 0.503 . . . . 0.0 110.398 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 74.2 mtp180 -65.11 -30.03 70.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.992 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 629' ' ' ALA . 41.1 t -64.67 -64.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.269 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' B' ' 697' ' ' LEU . 3.4 mm? -58.37 -38.98 78.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.381 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 1.3 mm-40 -59.83 -48.23 82.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.649 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.96 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.712 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 633' ' ' VAL . 81.5 mt -64.74 -47.69 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -59.79 -39.29 84.47 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 67.3 mttm -63.31 -41.0 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -70.17 -36.79 74.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 95.9 mt -64.81 -60.13 3.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 52.8 m 56.35 24.76 8.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.983 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 643' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' B' ' 690' ' ' SER . 66.7 mtt180 54.96 65.49 1.49 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.326 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.698 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.4 mt -65.57 166.67 10.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.217 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 14.7 m -65.69 162.52 18.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.83 -45.04 67.12 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.004 0.43 . . . . 0.0 111.801 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -61.25 -39.38 90.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.698 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 33.1 mt-10 -79.82 -22.52 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.457 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -73.49 -27.47 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.027 0.441 . . . . 0.0 110.062 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.03 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.961 170.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -57.77 -58.48 8.18 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.276 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -107.19 80.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.845 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -98.66 153.71 18.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' B' ' 685' ' ' LEU . 8.4 mp -75.27 58.54 0.96 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -114.34 -3.8 13.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.321 0.581 . . . . 0.0 110.159 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -105.27 1.19 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.515 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 657' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 19.0 m -145.17 152.04 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.155 -178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' B' ' 657' ' ' THR . 82.6 mt 71.27 21.11 4.81 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.608 0.568 . . . . 0.0 111.09 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -145.78 139.38 8.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.621 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 78.46 -91.83 1.17 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.697 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 19.3 p -72.29 136.2 46.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.437 0.16 . . . . 0.0 111.198 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 78.3 p 51.26 26.36 2.94 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.555 0.742 . . . . 0.0 111.719 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.55 -40.59 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.89 -47.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.879 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.712 ' HB ' HG23 ' B' ' 626' ' ' THR . 25.2 pt -68.55 -41.63 83.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.168 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -70.63 -43.75 68.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 667' ' ' ARG . 16.7 ttm-85 -65.53 -42.03 92.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.051 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.67 -45.54 93.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.85 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.65 HD12 HD11 ' B' ' 673' ' ' ILE . 12.8 tp -71.03 -33.98 70.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.353 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 33.4 mt-30 -69.41 -24.61 63.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.637 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -78.25 -27.87 47.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.901 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.65 HD11 HD12 ' B' ' 670' ' ' LEU . 32.6 pt -95.31 -32.18 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.303 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.481 ' HD1' HG12 ' A' ' 216' ' ' ILE . 32.6 m-85 -122.66 48.59 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 675' ' ' ALA . . . . . 0.614 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -31.78 -53.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.67 -37.25 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.11 25.17 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.31 97.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.786 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.336 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.48 -43.95 72.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.096 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.99 -47.18 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.606 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' B' ' 685' ' ' LEU . 98.8 mt -61.09 -42.15 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.07 -43.43 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.041 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.02 98.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.291 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.646 HD21 HG11 ' B' ' 696' ' ' VAL . 58.7 mt -56.04 -38.32 70.41 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.08 -52.83 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.826 0.346 . . . . 0.0 110.754 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.498 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 11.4 ttmt -59.4 -51.86 68.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.076 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -133.31 82.95 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.24 -50.63 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.464 2.11 . . . . 0.0 113.085 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 690' ' ' SER . . . . . 0.488 ' HB3' ' HG2' ' B' ' 643' ' ' ARG . 24.2 m -66.57 -10.12 42.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.669 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 36.3 mt -91.72 -45.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.83 0.347 . . . . 0.0 110.571 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -84.09 -40.59 18.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -175.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.666 HG12 ' HD3' ' B' ' 694' ' ' PRO . 2.9 p -59.37 -36.04 36.91 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.666 ' HD3' HG12 ' B' ' 693' ' ' VAL . 11.7 Cg_exo -72.31 -40.98 2.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 121.493 1.462 . . . . 0.0 111.697 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 15.1 mt -67.52 -51.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.393 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.646 HG11 HD21 ' B' ' 685' ' ' LEU . 4.3 p -65.07 -33.82 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.37 -175.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.491 HD21 ' HG2' ' B' ' 635' ' ' GLU . 56.4 tp -72.72 -34.9 67.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.614 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.16 -45.21 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.229 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.447 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 29.8 mmt180 -62.6 -39.73 94.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.277 0.56 . . . . 0.0 109.874 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 27.4 tp -66.51 -32.45 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.615 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.532 ' HD2' HD12 ' B' ' 631' ' ' ILE . 4.8 mptp? -71.9 -37.62 70.08 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.5 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.4 ttp -63.47 -40.07 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.423 ' HE2' HG22 ' B' ' 673' ' ' ILE . 15.7 mmtm -70.12 -33.45 71.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.081 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.519 ' HA ' ' OD1' ' B' ' 627' ' ' ASN . 32.7 tt0 -55.72 -43.88 76.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.182 0.515 . . . . 0.0 109.749 174.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.1 -42.42 84.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 706' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 709' ' ' GLU . 35.4 tt0 -59.5 -48.9 79.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -71.95 -28.91 63.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -64.69 -39.25 93.33 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 171.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 706' ' ' GLU . 27.7 mm-40 -56.89 -49.47 75.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.576 174.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 710' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 205' ' ' ALA . . . -65.76 -43.11 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.093 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.48 -37.07 85.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.641 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 58.5 mtm-85 -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.372 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -86.57 -48.71 4.4 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.952 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.73 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.77 -42.07 67.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.519 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 53.9 tttm -61.8 -57.32 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.93 -38.35 65.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -54.94 -56.19 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -63.58 -39.63 94.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.209 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 25.4 mt-10 -63.24 -34.97 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.479 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -89.04 -13.95 37.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.986 0.422 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -81.4 -38.51 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.06 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.94 -43.27 45.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 724' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' B' ' 720' ' ' GLU . 24.8 pttm -117.3 157.94 25.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -126.43 -68.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -122.7 147.54 46.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.08 37.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.53 -174.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -160.76 147.11 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.184 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.384 174.182 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.767 0.318 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -99.48 141.09 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . 58.54 -161.79 0.24 Allowed 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.566 0.541 . . . . 0.0 111.108 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -150.74 103.75 3.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.258 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -77.31 90.48 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.415 0.626 . . . . 0.0 109.812 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.46 136.78 57.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.86 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -76.7 84.56 3.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.735 0.779 . . . . 0.0 109.964 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.12 -48.27 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 672' ' ' ARG . 76.7 mt -72.76 139.14 46.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.177 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.02 155.5 28.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 46.7 p -73.4 152.24 40.88 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.415 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 -31.61 60.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.12 -54.64 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.03 -34.69 78.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.007 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.41 ' O ' HD13 ' A' ' 220' ' ' LEU . 77.5 mt -64.59 -51.3 69.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.778 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.315 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.16 -52.3 65.85 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.328 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.72 -51.33 69.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.264 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 216' ' ' ILE . 10.2 mp -53.75 -45.91 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.569 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.666 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 1.6 mmp_? -70.47 -32.62 70.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.939 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 77.7 m -67.19 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 110.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.476 ' HA ' HG21 ' B' ' 691' ' ' ILE . 88.3 mt -59.18 -20.7 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -107.38 -21.37 12.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.378 0.609 . . . . 0.0 109.893 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -98.69 8.05 45.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.08 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.565 HD23 HG12 ' B' ' 691' ' ' ILE . 31.7 tp -70.79 130.9 42.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.057 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -109.65 113.79 26.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.399 0.619 . . . . 0.0 111.318 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.822 175.716 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -125.41 144.01 50.72 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.48 173.85 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.765 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.94 5.52 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -86.64 49.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.67 102.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.13 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -81.55 129.05 34.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.247 0.546 . . . . 0.0 110.44 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -125.22 170.06 11.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.247 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 613' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' B' ' 616' ' ' GLU . 4.8 p -68.64 115.86 8.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.14 -66.27 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.08 -172.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.62 16.52 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.923 -170.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' B' ' 613' ' ' CYS . 42.1 tt0 -71.34 -63.32 1.14 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.052 0.453 . . . . 0.0 109.958 -172.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' B' ' 617' ' ' ARG . 9.0 ttp180 -64.3 -33.96 77.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.71 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.6 -54.39 47.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.982 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.413 ' CD ' HH12 ' B' ' 672' ' ' ARG . 39.3 tt0 -69.01 -29.84 68.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.426 ' HA ' HG12 ' B' ' 623' ' ' VAL . 1.4 mm? -66.22 -43.12 87.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.11 -41.45 81.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.074 0.464 . . . . 0.0 109.953 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.85 -48.01 88.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.498 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.3 p -65.53 -36.1 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.054 -177.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.6 mm? -66.85 -40.42 87.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 110.6 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.39 -48.43 81.28 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.557 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.582 HG22 ' HB2' ' B' ' 669' ' ' ALA . 29.8 m -61.07 -41.91 97.5 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.454 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.481 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.3 t-20 -58.07 -61.06 2.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.705 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.39 -41.16 72.27 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.56 73.0 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 110.887 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 58.8 m -67.11 -35.39 79.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.849 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' B' ' 635' ' ' GLU . 24.9 mm -58.79 -55.71 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.282 174.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -56.43 -45.21 80.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.316 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.678 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.6 p -64.76 -42.75 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.661 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 44.8 mt -70.72 -36.1 73.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' B' ' 697' ' ' LEU . 52.7 mt-10 -59.45 -41.61 90.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 636' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -62.79 -43.61 98.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.774 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.678 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.5 mm -61.11 -54.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.031 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -60.65 -36.18 78.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 110.618 -178.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -61.6 -47.13 86.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.436 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 640' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 97.9 mttt -68.6 -28.63 67.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -73.28 -70.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.676 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.0 m 55.03 32.84 19.0 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 69.34 96.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.885 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.791 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 97.1 mt -112.4 162.41 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.223 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 36.0 t -76.06 163.74 26.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.11 -34.31 63.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 111.671 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.14 -40.11 86.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.213 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.791 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 36.7 mt-10 -75.1 -32.2 61.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.19 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 645' ' ' SER . 76.2 mt-30 -65.95 -31.54 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.399 176.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.77 64.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -78.1 -56.25 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.101 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -110.29 102.86 11.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 40.2 ttp180 -135.36 165.99 24.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.969 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 685' ' ' LEU . 2.9 mm? -79.81 97.34 6.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.065 0.459 . . . . 0.0 109.972 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -132.03 -80.39 0.51 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.96 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -99.77 6.03 45.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 p -84.37 -32.39 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.541 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.4 tt -101.65 -28.34 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -91.8 -177.0 42.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.724 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 110.01 -128.15 8.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.637 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 17.0 p -73.88 -44.63 54.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 29.1 p -94.03 20.96 7.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.25 0.547 . . . . 0.0 110.809 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.0 -47.67 85.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.255 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.87 -45.71 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.344 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.5 -34.67 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 O-C-N 122.23 -0.294 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -70.05 -43.24 71.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' B' ' 667' ' ' ARG . 8.7 tpt180 -61.12 -49.06 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.225 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.39 -38.36 83.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.486 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -65.94 -45.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.735 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.9 -32.07 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -72.03 -28.05 63.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.559 0.219 . . . . 0.0 111.31 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.482 ' O ' HD23 ' A' ' 210' ' ' LEU . 10.0 ttm180 -73.49 -29.98 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.561 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.62 -39.28 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.929 0.395 . . . . 0.0 111.491 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -114.29 39.31 2.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.307 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.1 -38.51 3.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -76.32 -43.05 42.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.508 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.455 ' O ' HG12 ' B' ' 681' ' ' ILE . 70.7 mmtt -120.64 33.97 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.536 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -59.27 -46.12 89.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.203 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.15 79.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -69.73 -39.97 76.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.198 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 677' ' ' LYS . 47.5 mm -71.04 -40.64 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.536 HG12 ' O ' ' B' ' 678' ' ' ALA . 33.4 mm -57.46 -46.59 85.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.05 0.453 . . . . 0.0 109.964 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.6 -41.99 99.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.37 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.2 -43.51 98.36 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.501 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.493 ' O ' HD23 ' B' ' 654' ' ' LEU . 87.8 mt -57.81 -44.06 86.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.237 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' B' ' 682' ' ' ILE . 59.1 mtm180 -73.9 -25.25 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.046 0.451 . . . . 0.0 110.552 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 36.9 ttmt -80.61 -50.16 10.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.218 -175.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.423 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 40.1 t-20 -149.14 97.51 3.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.258 0.552 . . . . 0.0 110.228 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 37.2 Cg_endo -65.91 -25.11 52.69 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.903 2.402 . . . . 0.0 112.42 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 23.1 t -75.83 -9.56 58.7 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.435 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.565 HG12 HD23 ' A' ' 226' ' ' LEU . 43.8 mt -106.62 -65.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.58 95.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.659 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.3 t -55.83 -53.93 57.55 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -54.89 -41.94 73.66 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.175 1.917 . . . . 0.0 112.909 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.558 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.6 mt -73.53 -49.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.911 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.462 HG11 HD21 ' B' ' 685' ' ' LEU . 2.9 p -64.27 -33.77 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.229 0.537 . . . . 0.0 110.289 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' B' ' 635' ' ' GLU . 1.9 tt -68.32 -40.25 81.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -57.83 -42.75 84.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.929 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 34.1 mmt180 -63.39 -46.58 85.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.334 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' B' ' 631' ' ' ILE . 20.8 mt -69.81 -32.85 71.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.797 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.416 ' HE2' ' OE1' ' B' ' 704' ' ' GLU . 3.1 tptm -73.06 -35.85 66.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.092 0.472 . . . . 0.0 109.83 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 54.2 ttp -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.521 173.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -71.76 -31.5 66.7 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.416 ' OE1' ' HE2' ' B' ' 701' ' ' LYS . 35.1 tt0 -57.37 -49.0 77.57 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.77 -49.48 68.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.52 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.66 -50.23 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -65.59 -33.85 76.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.741 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.419 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 51.2 mm-40 -65.51 -36.53 84.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.855 0.359 . . . . 0.0 110.735 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.26 68.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 0.0 110.31 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.07 -37.25 86.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.905 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.597 ' HA ' ' CG ' ' B' ' 716' ' ' LYS . 10.0 ptm180 -74.1 -17.23 60.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -87.22 -50.38 3.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.697 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -90.19 -64.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.85 -56.53 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -167.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.597 ' CG ' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER -71.22 -29.93 65.74 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.116 -173.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.15 -44.04 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -52.13 -42.86 63.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.954 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 14.5 tpp180 -65.12 -58.99 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.658 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 720' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.11 -21.65 64.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.451 -174.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -82.11 -31.95 30.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.258 0.552 . . . . 0.0 109.68 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -67.4 -39.38 85.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.747 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 42.1 mm-40 -50.64 -66.83 0.32 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.462 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -148.01 159.89 43.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.126 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -150.58 -0.0 0.42 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.461 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.79 111.1 23.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.012 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.3 mt 61.74 179.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.799 0.687 . . . . 0.0 111.02 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.12 -38.66 56.6 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.855 178.635 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.597 0.237 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -113.48 32.57 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -88.44 15.14 8.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.4 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . 68.21 100.83 0.05 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.611 0.719 . . . . 0.0 111.417 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -82.65 105.02 13.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.763 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 80.1 mt -96.18 99.49 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' ASN . . . . . 0.584 ' HB2' ' OE2' ' B' ' 706' ' ' GLU . 85.5 m-20 -108.96 90.69 3.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' B' ' 673' ' ' ILE . 24.8 m-85 -68.99 -40.05 78.98 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.149 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.46 158.04 17.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.072 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.729 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 77.7 mt -100.04 155.38 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 25.1 p -69.36 137.68 53.06 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -63.3 -23.04 67.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.173 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.94 -54.07 46.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.13 -43.8 98.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.333 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.646 ' O ' ' HB2' ' A' ' 220' ' ' LEU . 72.4 mt -57.35 -46.9 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.594 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 44.4 ttm -68.56 -31.28 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.682 0.277 . . . . 0.0 110.639 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.53 -55.56 33.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.6 p30 -77.44 -29.38 52.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.962 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 216' ' ' ILE . 0.5 OUTLIER -53.86 -45.32 70.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 110.2 175.042 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 217' ' ' MET . 92.9 mtt180 -70.11 -43.89 70.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.348 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 226' ' ' LEU . 93.3 m -59.6 -32.85 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 83.3 mt -63.87 -16.59 61.74 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 121.143 0.497 . . . . 0.0 111.211 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.44 -43.09 3.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.688 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -90.27 16.82 7.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.465 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 222' ' ' THR . 1.2 tm? -74.55 98.73 3.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.86 127.55 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.2 0.524 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.027 179.598 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.787 0.327 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -139.33 157.54 45.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.217 0.532 . . . . 0.0 111.454 -175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -115.53 2.41 13.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.721 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.06 -13.13 45.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.322 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 63.12 88.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.17 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.52 111.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -74.38 81.54 1.9 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.702 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -100.31 102.13 13.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.36 1.076 . . . . 0.0 110.539 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 41.4 t -95.57 -29.13 14.51 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 62.06 20.31 11.51 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.462 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -136.91 9.84 3.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.528 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -69.48 -48.28 61.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' B' ' 715' ' ' ASN . 28.3 ttp-105 -56.13 -38.69 71.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.73 -48.15 83.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.65 -30.9 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.314 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.523 ' HA ' HG12 ' B' ' 623' ' ' VAL . 2.5 mm? -66.7 -40.44 88.47 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.766 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.38 -43.46 90.67 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.77 -53.44 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.474 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.4 p -63.94 -39.52 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.913 -0.13 . . . . 0.0 111.34 -176.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 624' ' ' LEU . 1.9 mm? -63.94 -43.22 96.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.739 0.304 . . . . 0.0 110.849 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -71.33 -38.19 71.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.079 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.579 HG22 ' HB2' ' B' ' 669' ' ' ALA . 89.4 m -62.34 -45.18 94.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.277 0.56 . . . . 0.0 110.07 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -60.16 -44.3 95.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.202 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.87 -47.19 85.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.806 -177.578 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.52 94.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.15 0.5 . . . . 0.0 110.916 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' B' ' 666' ' ' HIS . 32.1 m -68.7 -36.62 78.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.479 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 1.0 OUTLIER -57.6 -47.56 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.559 174.498 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 15.7 mmm180 -67.27 -45.09 77.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.391 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.546 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.2 p -64.13 -41.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.053 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.42 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.3 mt -69.08 -41.14 77.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.479 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.417 ' OE2' HG23 ' B' ' 631' ' ' ILE . 43.3 mt-10 -63.91 -36.44 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.269 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 636' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.316 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.546 HG12 ' O ' ' B' ' 633' ' ' VAL . 47.9 mm -58.2 -44.55 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.226 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -55.61 -42.47 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -73.71 -35.14 65.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 640' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 28.4 mtpp -70.88 -29.07 65.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.373 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 81.2 mt -71.28 -64.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.34 174.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 74.9 m 49.12 38.31 12.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 67.72 82.78 0.17 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.956 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 81.1 mt -87.5 155.27 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.103 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 32.8 t -73.0 167.54 20.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.85 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.893 0.378 . . . . 0.0 111.034 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.83 -27.86 68.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.241 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.7 mt-10 -76.56 -34.65 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.465 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 45.3 mt-30 -73.47 -21.54 60.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.599 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.99 59.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 109.8 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 651' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 33.8 ttpt -88.33 -60.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.853 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -103.52 112.13 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.248 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.473 ' HG2' ' H ' ' B' ' 654' ' ' LEU . 18.2 ttp180 -131.83 171.29 13.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.36 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.473 ' H ' ' HG2' ' B' ' 653' ' ' ARG . 8.6 mp -78.74 63.42 3.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 0.0 111.003 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -109.32 127.52 54.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.014 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 69.77 7.13 6.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.034 0.534 . . . . 0.0 111.709 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 4.1 p -97.6 -38.68 9.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.295 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' B' ' 663' ' ' GLU . 7.9 mp -103.37 -1.97 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 110.228 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -108.89 171.66 15.69 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.0 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.31 -125.09 8.16 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.332 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 17.3 m -87.28 -43.95 11.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.023 0.44 . . . . 0.0 110.344 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.8 m -76.21 1.92 14.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' B' ' 658' ' ' LEU . 41.7 tt0 -59.37 -52.37 65.92 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.21 -33.86 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 0.0 111.158 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.422 HG23 HG23 ' B' ' 626' ' ' THR . 53.3 mt -67.08 -57.45 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 666' ' ' HIS . . . . . 0.442 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.3 m-70 -69.99 -36.9 75.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.41 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -61.0 -52.47 64.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.274 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.95 -44.56 94.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.319 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -61.04 -44.94 96.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.838 HD23 HG12 ' B' ' 682' ' ' ILE . 14.0 tp -76.71 -36.88 56.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.452 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 86.5 mt-30 -66.5 -24.22 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.058 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.573 ' NE ' ' HA ' ' B' ' 672' ' ' ARG . 3.2 tpm_? -64.91 -51.66 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.699 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.729 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.0 pt -79.77 -39.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.577 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.66 ' CD1' HG13 ' B' ' 681' ' ' ILE . 30.7 m-85 -99.29 31.22 3.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.224 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.56 3.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.83 -15.52 56.16 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -152.55 35.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.418 0.628 . . . . 0.0 110.585 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.452 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -62.28 -43.73 98.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.903 -173.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.4 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.755 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.05 -27.67 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.993 0.425 . . . . 0.0 110.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.66 HG13 ' CD1' ' B' ' 674' ' ' TYR . 47.5 mm -80.11 -45.67 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.199 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.838 HG12 HD23 ' B' ' 670' ' ' LEU . 82.9 mt -63.96 -37.04 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.34 0.591 . . . . 0.0 109.904 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.55 -25.23 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.652 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -57.58 -44.77 93.75 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.253 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.436 ' HB3' HD22 ' B' ' 654' ' ' LEU . 71.5 mt -62.89 -34.11 76.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.369 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.469 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 21.5 mtm180 -84.81 -28.54 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.566 . . . . 0.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -70.44 -62.69 1.29 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.843 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.405 ' HB3' ' CG1' ' B' ' 691' ' ' ILE . 85.4 m-20 -130.41 90.73 40.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.731 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.465 ' HG2' ' OE1' ' B' ' 649' ' ' GLN . 18.8 Cg_endo -60.95 -46.34 16.47 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.196 1.931 . . . . 0.0 112.581 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 8.6 t -70.55 -3.93 20.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.194 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' B' ' 688' ' ' ASN . 44.8 mm -108.14 -59.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.15 61.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.623 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 48.3 t -52.19 -54.43 41.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.72 -176.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.623 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 32.1 Cg_exo -59.43 -44.54 32.07 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.814 1.676 . . . . 0.0 112.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.69 -54.26 20.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.61 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.84 -38.88 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' B' ' 634' ' ' LEU . 63.7 tp -65.87 -36.52 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 177.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.13 -42.84 99.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 110.633 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.634 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 22.2 mmt180 -63.48 -39.26 93.98 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.394 0.616 . . . . 0.0 110.527 176.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 16.9 tp -72.66 -29.62 63.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.675 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 62.5 mmtt -73.4 -33.7 65.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.064 175.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 55.0 ttp -61.52 -43.72 98.35 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.163 0.506 . . . . 0.0 109.712 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 25.7 mmtp -78.24 -27.27 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.025 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 171.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.12 -48.26 80.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.814 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 706' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 208' ' ' ASN . 30.6 tt0 -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.402 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 5.9 m0 -67.93 -28.42 67.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.39 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -46.13 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.92 -33.73 76.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.26 68.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 26.1 tt0 -65.59 -30.17 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.237 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 78.9 ttt180 -61.41 -33.92 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.374 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.41 -46.07 10.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.934 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -88.56 -65.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.915 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.588 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 49.7 t30 -68.91 -47.73 65.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.485 -171.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 50.0 tttm -62.41 -56.29 19.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.672 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.17 -39.75 74.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -58.07 -47.45 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 48.7 mtt180 -66.55 -40.78 89.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.473 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 18.2 mm-40 -55.42 -42.59 74.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.694 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -75.67 -31.13 59.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.98 -40.63 65.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 7.6 mm-40 -76.46 -65.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.027 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 64.0 mttm 55.34 -171.42 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.633 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -145.83 145.35 30.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.482 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.9 161.97 16.36 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 78.0 mt -110.88 143.11 41.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.941 0.4 . . . . 0.0 111.083 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -107.69 -56.54 2.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.094 175.2 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.29 -63.99 1.03 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.284 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -171.62 -175.47 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.237 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -73.53 99.04 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.916 0.388 . . . . 0.0 110.277 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -77.8 118.93 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.287 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.33 80.21 7.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.368 0.604 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -93.55 110.64 22.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.729 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -92.52 -49.39 6.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.911 0.386 . . . . 0.0 110.536 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -83.59 169.81 14.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.551 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.39 176.62 5.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.065 171.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -81.33 145.27 30.95 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.7 -35.75 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.38 0.609 . . . . 0.0 109.843 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.79 -55.23 32.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.148 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.14 -34.5 73.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.83 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.41 HG12 ' HD1' ' B' ' 674' ' ' TYR . 78.4 mt -62.49 -50.75 78.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.334 0.588 . . . . 0.0 110.359 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 45.1 ttm -67.38 -33.62 75.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.75 -45.43 85.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.222 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.82 -53.06 62.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.83 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.543 HD22 ' HD3' ' B' ' 677' ' ' LYS . 49.3 tp -55.85 -41.52 74.44 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.382 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' A' ' 225' ' ' LYS . 99.3 mtt180 -69.61 -38.57 77.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.049 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.59 ' HA ' ' HD2' ' A' ' 225' ' ' LYS . 90.4 m -62.97 -32.52 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.733 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.51 -35.04 73.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.73 -15.66 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.509 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 222' ' ' THR . 90.8 mttt -66.08 -40.51 90.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 110.752 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.7 6.55 44.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.94 129.16 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.895 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.38 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.678 0.275 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -100.66 83.29 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.465 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -146.29 32.07 1.0 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.655 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -43.5 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.463 -178.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -131.13 16.01 5.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.453 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 102.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.02 87.29 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.827 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -122.46 -31.83 3.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 13.6 m -81.26 57.41 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.985 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.58 120.39 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.141 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 58.58 21.4 8.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.227 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 4.6 tp10 -75.34 -45.0 42.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -71.85 -33.67 68.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.155 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 622' ' ' VAL . 9.2 m-85 -61.7 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.49 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.72 -44.06 85.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.561 ' HB3' ' OE1' ' B' ' 711' ' ' GLN . 93.0 mt -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.705 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.26 -41.07 87.95 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 622' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 618' ' ' PHE . 94.0 t -68.87 -51.33 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 620' ' ' LEU . 7.2 p -61.1 -40.98 87.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.159 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.64 ' HG ' ' HG2' ' B' ' 711' ' ' GLN . 0.8 OUTLIER -61.38 -51.41 68.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 111.2 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.22 -42.93 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.548 HG22 ' HB2' ' B' ' 669' ' ' ALA . 20.8 m -64.18 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.195 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.514 ' O ' HG12 ' B' ' 631' ' ' ILE . 2.9 t-20 -61.75 -54.31 44.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.46 176.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.52 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 5.0 tt -61.79 -38.25 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.763 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.4 85.9 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.613 0.721 . . . . 0.0 110.339 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.563 HG22 HD23 ' B' ' 634' ' ' LEU . 24.1 m -66.85 -33.7 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.368 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 627' ' ' ASN . 43.2 mm -56.55 -48.57 80.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.259 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 71.7 mtp180 -57.21 -53.62 56.0 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.927 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.554 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.0 p -69.45 -33.77 58.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.66 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 0.6 OUTLIER -61.64 -50.34 72.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.621 0.248 . . . . 0.0 111.065 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' B' ' 697' ' ' LEU . 29.7 mt-10 -64.35 -34.37 78.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.37 82.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.554 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.6 mm -63.49 -45.09 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -59.19 -39.35 82.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 639' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' B' ' 639' ' ' LYS . 39.4 ttmt -68.72 -38.65 80.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.673 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.78 -31.15 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' B' ' 689' ' ' PRO . 79.0 mt -72.67 -70.28 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.244 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.7 m 60.46 23.48 13.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.321 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 67.2 94.61 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 111.073 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.772 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 87.8 mt -108.66 167.16 10.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.224 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.4 p -78.18 167.47 21.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.57 65.24 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.67 -37.23 86.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.796 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.772 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 35.3 mt-10 -79.29 -28.3 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.89 -31.01 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.937 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.17 -21.23 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.289 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -77.79 -58.91 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.995 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -103.84 109.52 21.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 60.5 ttp180 -135.21 151.51 50.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.457 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' B' ' 689' ' ' PRO . 6.1 mp -73.96 112.99 10.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.59 0.233 . . . . 0.0 110.873 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 655' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' B' ' 656' ' ' ASN . 17.6 t70 -166.73 103.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 656' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 655' ' ' ASP . 47.2 m-80 69.99 -0.32 2.79 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.819 0.699 . . . . 0.0 110.417 -171.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -20.15 59.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.053 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.679 ' HB2' ' HG3' ' B' ' 663' ' ' GLU . 73.9 mt -93.87 14.15 20.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.653 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . 109.32 132.92 6.61 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.446 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.1 -43.37 98.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.32 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 10.8 t -124.95 -0.33 7.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.144 0.497 . . . . 0.0 110.205 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 19.1 m -97.38 6.0 48.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.973 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.679 ' HG3' ' HB2' ' B' ' 658' ' ' LEU . 33.4 tt0 -73.98 -29.86 62.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.1 p -54.66 -47.1 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.769 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' B' ' 626' ' ' THR . 35.1 pt -68.63 -36.08 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.984 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -73.51 -44.8 56.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.043 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 16.5 ttm180 -61.05 -48.11 83.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.927 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.24 -43.07 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.411 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.548 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.94 -44.04 97.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.196 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.407 ' O ' HG12 ' B' ' 673' ' ' ILE . 32.8 tp -69.88 -36.68 75.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 26.1 mt-30 -69.7 -24.26 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.714 0.292 . . . . 0.0 110.863 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -72.45 -12.54 61.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.644 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.427 HG21 ' HG3' ' B' ' 703' ' ' LYS . 39.9 pt -107.43 -23.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.082 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.41 ' HD1' HG12 ' A' ' 216' ' ' ILE . 22.7 m-85 -115.02 25.81 10.62 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.47 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 675' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' B' ' 678' ' ' ALA . . . -39.48 -46.21 1.66 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 676' ' ' ASP . . . . . 0.522 ' OD1' ' HG2' ' B' ' 677' ' ' LYS . 13.8 t70 -52.15 -47.95 65.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.543 ' HD3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -118.98 34.08 5.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.111 -178.072 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' B' ' 675' ' ' ALA . . . -57.97 -51.87 67.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.76 -173.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.8 -45.94 48.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.117 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.436 HG12 ' O ' ' B' ' 677' ' ' LYS . 43.6 mm -65.02 -41.92 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.41 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 37.5 mm -60.81 -43.38 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.54 -36.54 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.605 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.24 -46.0 94.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.256 -0.497 . . . . 0.0 111.903 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.498 HD21 HG21 ' B' ' 696' ' ' VAL . 58.6 mt -59.78 -34.67 73.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.435 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 2.1 tpt180 -76.29 -12.71 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.837 -176.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -108.15 -53.3 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.466 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 43.1 t-20 -136.65 91.55 15.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.601 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.615 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 50.7 Cg_endo -70.45 -26.84 23.91 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.58 2.187 . . . . 0.0 112.35 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -29.2 70.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.504 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 695' ' ' ILE . 67.5 mt -94.6 -54.27 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.535 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -64.72 -52.03 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.463 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 88.9 t -55.79 -49.86 90.42 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -169.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.2 Cg_endo -56.49 -38.97 94.34 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.444 1.429 . . . . 0.0 112.479 177.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 691' ' ' ILE . 13.4 mt -70.33 -53.13 24.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 110.602 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.535 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.6 m -61.34 -35.2 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.252 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.66 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.0 tt -63.42 -43.02 98.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.982 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 698' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 61.3 mttp -56.09 -49.77 72.89 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -68.2 -30.87 70.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.052 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.6 tp -72.74 -36.45 67.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.243 0.544 . . . . 0.0 109.787 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.424 ' HD2' HD12 ' B' ' 631' ' ' ILE . 9.0 tptm -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.972 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.0 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.963 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 46.2 mmtt -69.04 -38.8 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.463 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.43 -46.25 83.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.12 -46.32 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.123 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.72 -50.54 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.729 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.516 ' O ' ' HB2' ' B' ' 711' ' ' GLN . 5.4 m0 -62.29 -32.68 73.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.727 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' B' ' 708' ' ' ARG . 7.2 mmt180 -66.53 -43.24 85.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.29 -29.61 65.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.444 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.42 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.22 0.534 . . . . 0.0 110.21 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.64 ' HG2' ' HG ' ' B' ' 624' ' ' LEU . 8.8 tp60 -62.56 -30.52 71.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.137 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.9 ttp180 -62.93 -31.58 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.497 176.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.19 -41.27 10.39 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.483 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -89.02 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.825 0.345 . . . . 0.0 111.869 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' B' ' 711' ' ' GLN . 27.4 t-20 -69.32 -49.59 54.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.847 -171.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 22.8 ttpt -59.37 -50.22 74.79 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.564 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.72 -43.59 84.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.613 0.244 . . . . 0.0 111.019 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 718' ' ' TRP . . . . . 0.424 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 85.9 t90 -58.27 -42.15 85.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.409 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.592 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 72.6 ttt180 -72.85 -36.36 67.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.694 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 6.1 mm-40 -55.19 -42.66 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.584 176.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' B' ' 718' ' ' TRP . 4.0 pp0? -88.1 -12.73 43.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.025 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -80.57 -56.76 3.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.716 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 4.5 mm-40 -64.78 -42.76 94.83 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.759 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -108.53 176.78 5.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.099 -174.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -94.8 0.33 54.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.986 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 54.7 t80 60.5 94.12 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 O-C-N 123.946 0.779 . . . . 0.0 111.114 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.1 mt 67.06 -174.76 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.956 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -132.37 144.33 50.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.048 178.212 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.034 0.445 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -127.17 97.8 5.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.368 . . . . 0.0 110.059 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -108.97 125.48 52.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.931 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -144.09 143.11 30.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -130.95 118.01 20.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.442 . . . . 0.0 109.909 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.55 150.06 35.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.135 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -102.72 9.63 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.748 ' HD2' ' HE1' ' B' ' 707' ' ' TRP . 92.5 m-85 74.33 -30.41 0.2 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.139 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.443 HD23 ' O ' ' B' ' 672' ' ' ARG . 72.5 mt -73.36 -175.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 111.199 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.444 ' CD1' ' HE3' ' B' ' 703' ' ' LYS . 5.8 mp -113.74 172.73 6.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 30.7 p -79.85 150.07 30.77 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.54 -44.91 13.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.939 0.495 . . . . 0.0 111.335 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -52.53 -37.76 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.475 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -78.32 -39.43 39.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.224 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 211' ' ' LEU . 2.2 mp -61.96 -48.58 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -33.46 75.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.6 -52.45 64.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.294 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -64.45 -38.75 92.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.143 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.98 -43.17 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.145 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 225' ' ' LYS . 69.0 mtp180 -67.2 -30.49 70.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.779 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 59.5 m -68.92 -31.36 70.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.387 0.137 . . . . 0.0 111.112 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.507 HD23 HG22 ' B' ' 691' ' ' ILE . 52.8 mt -62.81 -32.55 73.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.228 0.537 . . . . 0.0 109.555 173.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -81.97 -39.82 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.805 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 221' ' ' ARG . 33.7 mtmm -64.61 -75.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.834 ' HG ' HG12 ' B' ' 691' ' ' ILE . 1.2 tm? 40.03 77.2 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.314 1.009 . . . . 0.0 111.081 -174.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -140.31 102.46 4.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.117 0.484 . . . . 0.0 110.318 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.507 178.926 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.709 0.29 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -76.26 -86.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' ALA . . . . . 0.518 ' HB3' HD11 ' B' ' 610' ' ' ILE . . . -164.99 176.21 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.85 -47.77 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -137.37 96.97 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.493 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' B' ' 607' ' ' ALA . 3.6 mp -95.54 115.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.882 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.39 103.96 14.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.255 0.55 . . . . 0.0 111.515 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -117.44 -57.72 2.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 166.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 6.5 p -151.48 21.82 0.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.201 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -69.46 108.87 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.16 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 28.7 t0 57.87 93.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.699 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.404 ' OE1' ' HB3' ' B' ' 714' ' ' PHE . 37.1 tt0 -68.23 -38.75 82.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.6 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.425 ' HD3' HH11 ' B' ' 617' ' ' ARG . 35.3 ttt180 -65.45 -37.18 86.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.033 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.65 -53.26 32.4 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.385 0.428 . . . . 0.0 110.555 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.29 -38.84 91.46 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.636 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.507 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.11 -39.36 82.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.876 0.369 . . . . 0.0 110.32 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.16 -47.81 80.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.387 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.79 -37.13 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.009 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -69.22 -41.45 77.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.752 0.31 . . . . 0.0 110.727 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.18 -48.58 81.14 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.619 HG22 ' HB2' ' B' ' 669' ' ' ALA . 19.5 m -61.52 -39.67 91.86 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.13 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.449 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -56.77 -61.36 2.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.93 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.37 -34.93 76.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.56 92.63 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.209 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.534 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.7 m -74.55 -31.28 62.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.054 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.464 HD12 ' HD2' ' B' ' 701' ' ' LYS . 29.9 mm -60.17 -51.75 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 0.0 110.099 173.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.86 -45.74 93.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.342 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.654 ' O ' HG12 ' B' ' 637' ' ' ILE . 10.8 p -65.24 -46.11 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.393 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.497 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 40.9 mt -65.19 -39.46 92.88 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.326 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' B' ' 639' ' ' LYS . 19.3 mm-40 -61.47 -42.76 99.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.512 175.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.78 97.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.155 0.502 . . . . 0.0 110.222 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.654 HG12 ' O ' ' B' ' 633' ' ' VAL . 44.6 mm -59.3 -48.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.949 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -58.27 -42.03 85.6 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.803 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 639' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' B' ' 635' ' ' GLU . 46.9 mmtm -60.34 -40.54 91.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.237 0.541 . . . . 0.0 110.576 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -81.49 -23.94 37.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.593 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 61.4 mt -71.48 -71.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.719 177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.6 m 57.29 40.06 28.05 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.52 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 72.1 -38.47 0.42 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.503 1.121 . . . . 0.0 112.63 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.647 HD22 ' HB3' ' B' ' 648' ' ' GLU . 75.4 mt 63.04 -177.19 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.64 0.733 . . . . 0.0 111.937 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' B' ' 648' ' ' GLU . 7.2 m -109.49 177.79 4.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.331 172.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.5 63.94 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 120.787 0.327 . . . . 0.0 111.203 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.1 -40.4 81.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.281 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.647 ' HB3' HD22 ' B' ' 644' ' ' LEU . 43.4 mt-10 -73.72 -32.15 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -174.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -69.0 -31.53 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.457 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.17 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.232 174.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -64.23 -64.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.769 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -101.58 97.13 7.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.766 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -121.13 156.79 31.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.924 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.571 HD21 HG21 ' B' ' 637' ' ' ILE . 88.3 mt -77.6 29.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -170.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.44 -77.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.668 0.27 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -72.74 -29.12 63.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.081 0.467 . . . . 0.0 110.735 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 m -73.59 -27.68 61.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.236 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.0 tt -129.13 -66.17 0.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.653 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -89.69 52.59 3.67 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.379 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -114.47 -107.04 2.69 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.027 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 30.5 m -90.52 -34.36 15.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.217 0.532 . . . . 0.0 110.109 177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 39.9 m -84.98 14.47 4.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.188 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.05 -45.76 86.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.307 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -48.44 -46.02 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 O-C-N 123.811 0.695 . . . . 0.0 112.868 -170.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.52 -45.38 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.825 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 666' ' ' HIS . . . . . 0.409 ' CE1' HG11 ' B' ' 633' ' ' VAL . 35.9 m-70 -72.63 -43.48 63.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.268 0.556 . . . . 0.0 110.215 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 69.1 ttt180 -63.12 -40.0 96.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.396 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.49 -46.29 90.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.619 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.3 -46.35 90.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.11 -28.62 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.143 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 84.8 mt-30 -75.53 -24.35 56.77 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.418 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.443 ' O ' HD23 ' A' ' 210' ' ' LEU . 40.2 ttt180 -89.76 14.63 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.067 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.421 ' HB ' ' CD1' ' A' ' 211' ' ' LEU . 11.2 pt -131.09 -41.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.582 170.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.488 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 80.1 m-85 -103.36 29.25 5.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.847 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.15 -51.75 0.25 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.05 -30.39 66.54 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -136.52 38.64 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.914 0.387 . . . . 0.0 111.961 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.415 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -68.05 -31.18 70.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.98 85.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.827 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -38.24 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.47 -43.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.0 mm -60.72 -41.09 87.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.15 0.5 . . . . 0.0 110.053 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.24 -47.55 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.493 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.66 -46.93 93.19 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.707 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.53 HD21 HG11 ' B' ' 696' ' ' VAL . 82.9 mt -56.93 -45.99 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -85.59 17.97 3.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -137.97 -41.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.262 . . . . 0.0 111.307 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.26 92.56 12.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 0.0 110.306 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.44 -35.04 18.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.088 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 50.6 m -66.96 -13.29 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.98 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.834 HG12 ' HG ' ' A' ' 226' ' ' LEU . 42.0 mt -102.94 -58.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.027 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -72.14 -39.68 68.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.628 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 69.2 t -55.69 -54.65 49.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 119.221 -0.419 . . . . 0.0 112.079 -176.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.621 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 73.3 Cg_exo -52.5 -46.15 35.11 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.203 1.935 . . . . 0.0 112.768 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.72 -55.02 19.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.194 0.521 . . . . 0.0 110.494 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.53 HG11 HD21 ' B' ' 685' ' ' LEU . 2.4 p -64.59 -34.17 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.742 -174.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.628 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 0.5 OUTLIER -70.2 -40.4 74.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.06 -40.03 87.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.429 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.488 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 34.1 mmt180 -64.12 -40.1 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.461 ' HG ' HD11 ' B' ' 631' ' ' ILE . 34.0 tp -69.48 -34.96 75.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.622 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 4.4 mptp? -69.43 -36.81 77.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.166 0.507 . . . . 0.0 110.334 175.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.77 -46.88 83.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.069 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.444 ' HE3' ' CD1' ' A' ' 211' ' ' LEU . 2.6 mptp? -70.38 -25.73 63.38 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.459 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 27.1 tt0 -57.61 -48.53 79.15 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 31.7 mt-10 -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.216 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.14 -51.84 67.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.385 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.748 ' HE1' ' HD2' ' A' ' 209' ' ' TYR . 9.9 m0 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.06 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' B' ' 712' ' ' ARG . 14.3 mmt180 -62.95 -41.84 99.64 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.052 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -71.41 -36.82 71.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 110.947 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.51 -50.2 70.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.048 0.451 . . . . 0.0 110.106 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.521 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 43.1 tt0 -64.7 -28.72 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.82 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.62 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 18.0 ttt180 -66.32 -47.77 72.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.331 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -73.4 -38.65 52.53 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.101 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 714' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' B' ' 718' ' ' TRP . 31.1 m-85 -88.13 -64.96 1.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.798 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.521 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 34.9 t30 -74.7 -52.38 11.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.879 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 9.5 tmtt? -61.09 -45.94 92.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 712' ' ' ARG . 89.4 t -68.7 -34.64 65.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 718' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' B' ' 714' ' ' PHE . 73.2 t90 -56.93 -47.81 79.74 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 28.2 mtp-105 -64.56 -39.87 94.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.985 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 64.8 mm-40 -51.89 -42.21 62.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.015 176.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 22.7 mm-40 -81.43 -38.05 27.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.294 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.64 -31.89 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -79.37 -3.24 45.36 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 724' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' B' ' 720' ' ' GLU . 16.7 ptpt -128.81 156.39 43.67 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -129.72 -174.92 3.44 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -89.48 17.06 6.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.866 -167.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 97.3 mt 63.89 94.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.142 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -146.77 144.62 29.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.192 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.564 179.059 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -104.06 77.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.041 0.448 . . . . 0.0 110.416 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -100.45 -38.16 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.26 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ALA . . . . . 0.41 ' HB1' ' CZ ' ' B' ' 714' ' ' PHE . . . -76.7 84.83 3.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.409 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -105.05 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.124 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' B' ' 710' ' ' ALA . 71.4 mt -94.28 87.94 5.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.81 96.37 6.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.183 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.27 -40.39 11.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.563 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 40.4 mt -87.28 -169.12 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.227 -174.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.727 HD21 ' HD2' ' B' ' 703' ' ' LYS . 96.5 mt -134.58 144.5 47.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.5 m -61.97 148.4 43.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.07 -41.15 25.25 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.583 0.353 . . . . 0.0 111.707 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -60.11 -32.98 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.265 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.35 -47.15 68.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.873 HG21 ' HB3' ' B' ' 677' ' ' LYS . 4.6 mp -67.2 -39.81 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.347 0.594 . . . . 0.0 109.818 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 32.7 ttm -67.97 -33.69 75.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.256 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.73 -44.32 93.8 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 0.7 OUTLIER -57.21 -54.54 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.28 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.51 -41.92 70.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.594 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -65.01 -33.74 76.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 15.8 m -72.42 -44.78 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 68.6 mt -59.79 -26.96 66.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.025 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -87.17 -34.59 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.043 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -100.23 -38.57 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.001 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.96 86.0 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.563 ' HA ' ' CD1' ' B' ' 691' ' ' ILE . 15.5 pttp -114.32 172.6 6.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.529 -176.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.428 174.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.909 -0.034 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 51.32 93.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.26 0.624 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -75.08 -67.9 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.194 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -128.77 -52.77 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.375 0.607 . . . . 0.0 109.625 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -167.2 100.03 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.825 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.96 99.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.859 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -133.03 109.8 9.78 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.133 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 612' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' B' ' 612' ' ' ARG . 5.8 ptm85 -134.8 101.1 4.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.394 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 53.6 t -147.9 -54.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.113 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -72.57 -34.45 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.09 50.06 1.35 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.126 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 34.3 tt0 -81.59 -61.6 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.524 -173.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' B' ' 620' ' ' LEU . 60.6 ttt-85 -63.43 -31.8 73.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.131 -176.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG23 ' B' ' 622' ' ' VAL . 76.6 t80 -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.186 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.408 ' O ' HG12 ' B' ' 623' ' ' VAL . 33.6 tt0 -69.04 -30.48 68.85 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.467 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 63.1 mt -60.75 -45.05 95.82 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.566 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.88 -45.59 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.1 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 622' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 618' ' ' PHE . 86.7 t -61.8 -49.94 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.751 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.408 HG12 ' O ' ' B' ' 619' ' ' GLU . 15.0 p -66.63 -39.91 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 121.312 -0.155 . . . . 0.0 111.362 -175.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 624' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.07 -48.68 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.293 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -60.01 -47.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.529 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.546 HG22 ' HB2' ' B' ' 669' ' ' ALA . 50.2 m -61.66 -38.13 86.58 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.352 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.592 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.2 t-20 -61.31 -56.88 15.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.72 177.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 3.5 mm? -55.05 -38.71 68.36 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.313 0.383 . . . . 0.0 111.666 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.02 82.87 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.332 0.587 . . . . 0.0 110.659 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.484 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.4 m -69.85 -34.98 74.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.095 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' B' ' 700' ' ' LEU . 44.2 mm -51.29 -58.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.368 . . . . 0.0 110.443 170.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 19.5 mmt180 -59.09 -44.08 91.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.802 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' B' ' 630' ' ' THR . 11.1 p -64.36 -45.67 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.909 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.581 HD23 HD12 ' B' ' 637' ' ' ILE . 47.5 mt -73.74 -33.08 64.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -176.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.558 ' HG2' HD21 ' B' ' 697' ' ' LEU . 64.2 mt-10 -64.85 -40.75 95.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 109.843 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.33 83.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.581 HD12 HD23 ' B' ' 634' ' ' LEU . 96.7 mt -59.52 -48.64 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.125 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.17 -41.52 88.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.538 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 639' ' ' LYS . . . . . 0.432 ' HB3' ' HE3' ' B' ' 639' ' ' LYS . 25.3 ttpp -59.23 -45.04 92.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.62 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -70.22 -43.74 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 93.9 mt -62.87 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.327 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 34.0 m 56.43 25.32 9.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.172 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 643' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 643' ' ' ARG . 34.7 mtt85 64.21 79.17 0.26 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.77 176.99 5.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.115 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 27.5 t -62.97 153.99 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.74 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.79 -39.56 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.61 -28.81 59.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.536 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 77.7 mt-30 -63.98 -34.29 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.681 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -82.53 -24.73 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.16 -61.04 1.99 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -96.25 104.34 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.642 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 39.3 ttp180 -123.41 154.08 39.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.155 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.431 HD11 HG23 ' B' ' 637' ' ' ILE . 1.8 mm? -84.5 31.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -169.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 655' ' ' ASP . . . . . 0.454 ' OD2' ' HB3' ' B' ' 653' ' ' ARG . 9.9 m-20 -61.93 -55.97 24.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -87.08 -1.97 58.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.4 m -93.25 -42.42 9.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 87.2 mt -97.06 -22.31 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.761 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.583 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -127.45 159.56 21.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.344 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 97.72 -34.73 4.97 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.126 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 61.6 m -149.71 124.33 9.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 8.5 t 66.04 19.88 11.22 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 109.958 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.583 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 0.0 OUTLIER -65.67 -38.34 89.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.204 -178.512 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 664' ' ' VAL . . . . . 0.403 HG13 HG12 ' B' ' 665' ' ' ILE . 7.2 p -59.69 -36.55 66.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 CA-C-O 121.098 0.475 . . . . 0.0 110.625 177.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.511 HG23 HG23 ' B' ' 626' ' ' THR . 10.7 mm -71.83 -53.01 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.521 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -63.9 -36.28 83.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -71.85 -43.64 65.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.871 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -60.82 -43.93 97.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 110.774 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -64.34 -46.49 83.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 673' ' ' ILE . 0.6 OUTLIER -61.45 -39.48 90.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.195 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 45.0 mt-30 -72.45 -23.41 61.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.926 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 38.0 mtt180 -81.34 -29.61 34.08 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.518 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.591 HG13 ' CD2' ' B' ' 674' ' ' TYR . 21.2 pt -90.57 -39.49 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.671 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.591 ' CD2' HG13 ' B' ' 673' ' ' ILE . 96.6 m-85 -108.65 31.39 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.159 -0.338 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 675' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -32.12 -61.6 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -169.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.51 -1.91 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -171.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.873 ' HB3' HG21 ' A' ' 216' ' ' ILE . 49.9 tptt -153.31 29.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.601 0.715 . . . . 0.0 110.286 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.115 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.34 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.469 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 680' ' ' ASP . . . . . 0.449 ' HB2' ' HE3' ' B' ' 677' ' ' LYS . 12.1 t70 -68.71 -46.01 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.3 mm -68.23 -41.62 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.703 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.61 -39.93 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.365 0.602 . . . . 0.0 110.097 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 683' ' ' ASP . . . . . 0.696 ' OD2' ' HE2' ' B' ' 687' ' ' LYS . 20.3 t70 -71.85 -44.29 64.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.49 -39.09 96.84 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.919 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.474 HD21 HG21 ' B' ' 696' ' ' VAL . 83.9 mt -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.168 0.508 . . . . 0.0 110.854 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.642 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 83.0 mtp180 -92.41 11.66 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.032 -177.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.696 ' HE2' ' OD2' ' B' ' 683' ' ' ASP . 48.0 mttm -117.13 -55.42 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.491 174.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -129.42 85.73 58.19 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 37.2 Cg_endo -66.0 -35.43 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.578 2.185 . . . . 0.0 112.79 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.0 m -67.94 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.977 0.417 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 227' ' ' LYS . 73.8 mt -97.97 -62.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.798 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.491 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.24 -44.1 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 72.2 t -55.51 -49.35 93.1 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.535 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.0 Cg_exo -57.54 -34.37 97.94 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.621 1.547 . . . . 0.0 112.762 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.418 ' O ' ' HD3' ' B' ' 699' ' ' ARG . 49.8 mt -74.4 -48.01 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.57 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.1 m -65.74 -33.33 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' B' ' 635' ' ' GLU . 3.1 tm? -59.84 -42.87 94.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.93 -42.78 98.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.449 ' HG2' ' OH ' ' B' ' 674' ' ' TYR . 1.6 mpt_? -62.72 -48.57 78.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.854 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.647 ' HB3' HD13 ' B' ' 631' ' ' ILE . 2.9 mm? -59.0 -42.43 90.05 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.439 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.8 OUTLIER -64.11 -49.82 70.72 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -65.79 -35.72 81.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 110.862 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.727 ' HD2' HD21 ' A' ' 211' ' ' LEU . 28.9 mtpp -86.72 -17.62 33.2 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.96 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 25.9 tt0 -59.38 -49.48 77.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.79 -36.17 79.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.898 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 706' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' B' ' 703' ' ' LYS . 3.7 tp10 -58.06 -53.05 62.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -69.69 -31.86 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -60.38 -41.69 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.12 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.99 -44.22 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.464 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 710' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 207' ' ' LEU . . . -62.62 -45.36 93.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.189 177.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.18 -40.54 96.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.352 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.64 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 13.6 ttp180 -72.89 -26.14 61.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -75.89 -42.65 24.77 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.236 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 714' ' ' PHE . . . . . 0.41 ' CZ ' ' HB1' ' A' ' 205' ' ' ALA . 88.7 m-85 -89.78 -64.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.933 0.396 . . . . 0.0 112.045 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.404 ' N ' HD22 ' B' ' 715' ' ' ASN . 0.9 OUTLIER -72.52 -41.9 65.36 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -169.673 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.6 OUTLIER -63.74 -45.31 90.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.543 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.472 ' O ' ' HG2' ' B' ' 721' ' ' GLN . 80.7 t -65.74 -35.71 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -57.21 -45.48 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.582 ' HG3' ' HG3' ' B' ' 723' ' ' GLU . 31.8 ttt180 -62.86 -38.3 90.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.259 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 7.6 mm-40 -64.39 -28.27 69.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 72.6 mm-40 -90.1 -47.52 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -80.23 -54.96 5.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.459 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.582 ' HG3' ' HG3' ' B' ' 719' ' ' ARG . 10.0 mm-40 -75.41 -55.53 5.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.458 -175.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 724' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 720' ' ' GLU . 57.1 mtmt 56.7 -163.83 0.16 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.6 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -124.16 114.85 20.2 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 171.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.46 109.8 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.53 125.73 27.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.357 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.36 -57.13 5.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.446 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.295 176.432 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 17.0 m120 70.78 -68.62 0.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.795 0.684 . . . . 0.0 111.802 175.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 101.76 7.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.044 0.45 . . . . 0.0 111.101 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -113.32 127.33 56.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.933 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -82.26 104.07 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' LEU . . . . . 0.587 HD23 ' HB1' ' B' ' 710' ' ' ALA . 2.4 pp -112.38 177.73 4.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.762 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -152.3 175.72 12.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.588 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -120.09 -41.25 2.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.424 HD23 ' O ' ' B' ' 672' ' ' ARG . 67.0 mt -80.41 -173.4 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.645 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.447 HD23 HG12 ' A' ' 216' ' ' ILE . 21.4 tp -129.65 150.49 50.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 151.63 29.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -41.62 62.9 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.014 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -49.42 -56.27 10.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.822 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.24 -41.03 67.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.952 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.447 HG12 HD23 ' A' ' 211' ' ' LEU . 75.0 mt -57.33 -52.65 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 110.977 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.578 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 9.6 tpp -68.98 -32.25 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.693 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.19 -52.64 64.71 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.246 0.546 . . . . 0.0 109.885 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 80.6 m-20 -61.25 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.02 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 223' ' ' LEU . 4.8 mp -57.27 -44.82 84.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 217' ' ' MET . 69.3 mtm180 -62.17 -38.62 89.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 110.388 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.636 ' O ' ' HA ' ' A' ' 226' ' ' LEU . 28.1 m -71.59 -19.99 62.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.562 HD23 HD12 ' B' ' 695' ' ' ILE . 92.6 mt -78.5 -35.01 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 0.0 110.193 173.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -80.17 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.05 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -101.85 -6.15 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.639 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.636 ' HA ' ' O ' ' A' ' 222' ' ' THR . 1.0 OUTLIER 54.77 73.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.618 0.574 . . . . 0.0 111.487 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.504 ' H ' ' HA ' ' A' ' 222' ' ' THR . 9.3 tmtm? 66.76 123.52 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.847 0.832 . . . . 0.0 112.265 173.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.996 174.809 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.737 0.303 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -93.91 145.62 24.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -72.67 -17.2 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.156 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -102.12 145.49 29.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -78.61 42.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.943 0.401 . . . . 0.0 111.419 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 63.2 mt -79.49 98.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 110.019 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.54 128.91 35.57 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 612' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 612' ' ' ARG . 40.2 mtp85 -87.58 -49.75 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.152 -171.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 60.7 m -94.86 80.89 3.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.97 0.414 . . . . 0.0 110.479 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -78.67 88.06 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.318 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 52.56 30.32 8.37 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.659 0.599 . . . . 0.0 111.581 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' B' ' 619' ' ' GLU . 45.1 tt0 -70.25 -41.92 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.372 0.606 . . . . 0.0 110.117 -175.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' B' ' 715' ' ' ASN . 58.6 ttt-85 -65.23 -39.62 92.97 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.096 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.417 ' O ' HG23 ' B' ' 622' ' ' VAL . 81.0 t80 -62.39 -40.81 97.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.731 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' B' ' 616' ' ' GLU . 8.5 tp10 -55.03 -41.97 72.05 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.458 175.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.48 ' O ' HD23 ' B' ' 624' ' ' LEU . 80.8 mt -66.01 -41.39 91.07 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 120.878 0.37 . . . . 0.0 110.748 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.51 -43.55 93.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.304 0.573 . . . . 0.0 110.253 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 622' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 618' ' ' PHE . 69.1 t -63.71 -50.62 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.455 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.489 ' HB ' HH11 ' B' ' 672' ' ' ARG . 9.9 p -61.87 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.889 -177.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.574 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 2.1 mm? -60.17 -53.07 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.057 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.7 -44.31 86.52 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.4 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.52 HG22 ' HB2' ' B' ' 669' ' ' ALA . 22.4 m -60.13 -41.75 93.35 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.308 0.575 . . . . 0.0 110.455 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.626 ' O ' HG12 ' B' ' 631' ' ' ILE . 8.1 t30 -65.43 -47.38 76.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.114 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.1 mm? -58.89 -39.07 80.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.7 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.66 92.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.298 0.571 . . . . 0.0 110.044 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 48.2 m -65.96 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.008 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.64 ' CD1' ' HB3' ' B' ' 700' ' ' LEU . 42.1 mm -54.72 -60.63 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 110.633 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 632' ' ' ARG . 22.6 mtm180 -58.77 -42.99 90.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.86 -173.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.671 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.1 p -67.18 -43.62 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.956 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 22.4 mt -72.12 -29.66 64.29 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.501 ' HG2' HD21 ' B' ' 697' ' ' LEU . 81.0 mt-10 -65.61 -38.1 88.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.81 87.48 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.626 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.671 HG12 ' O ' ' B' ' 633' ' ' VAL . 46.9 mm -60.52 -50.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.867 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -68.15 -27.81 66.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 639' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' B' ' 635' ' ' GLU . 79.0 tttt -61.99 -36.16 80.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.704 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -79.87 -49.44 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.044 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.0 -21.64 63.75 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.633 -175.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 9.8 p -9.93 76.26 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.85 1.66 . . . . 0.0 115.352 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 643' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 643' ' ' ARG . 14.5 mtm180 55.33 31.97 17.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.603 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.5 mt -64.51 151.45 44.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.722 0.296 . . . . 0.0 110.733 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 44.5 t -66.46 157.13 32.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.9 62.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.039 0.447 . . . . 0.0 110.763 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -61.53 -41.97 98.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.489 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.0 mt-10 -79.92 -21.68 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.16 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.621 ' HB3' ' HG2' ' B' ' 689' ' ' PRO . 75.7 mt-30 -71.65 -27.33 63.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.292 0.568 . . . . 0.0 109.787 175.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.22 -25.8 47.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.947 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.77 -59.22 2.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.944 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -104.92 99.82 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.556 ' HD2' ' OD1' ' B' ' 655' ' ' ASP . 7.7 ttm180 -131.69 165.15 24.37 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.524 HD11 HG21 ' B' ' 637' ' ' ILE . 3.2 mm? -71.44 0.39 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 655' ' ' ASP . . . . . 0.556 ' OD1' ' HD2' ' B' ' 653' ' ' ARG . 1.1 m-20 -55.61 -54.73 40.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.914 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -99.76 -7.42 25.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 10.2 m -95.85 -46.31 6.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.534 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 2.1 tt -97.04 73.44 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.564 0.697 . . . . 0.0 109.339 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.886 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . 175.08 162.07 25.83 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.053 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 92.59 62.53 1.14 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.625 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 26.0 m 78.69 -25.28 0.19 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.058 0.543 . . . . 0.0 111.768 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 3.4 m -93.62 -0.03 56.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.198 -0.314 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.886 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 0.0 OUTLIER -85.65 -37.69 19.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.26 -45.62 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 15.4 pt -66.23 -34.71 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -81.91 -36.7 27.82 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.889 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 9.1 tpt180 -61.02 -47.01 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -59.94 -53.35 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.019 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.1 -41.97 93.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.481 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.92 -35.21 69.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.516 ' HG2' ' CB ' ' B' ' 678' ' ' ALA . 27.7 mt-30 -71.36 -23.57 61.93 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.189 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.489 HH11 ' HB ' ' B' ' 623' ' ' VAL . 21.5 ttm180 -63.53 -35.25 79.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.17 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 26.7 pt -98.17 -43.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.81 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -98.4 31.41 2.83 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.305 -0.247 . . . . 0.0 110.865 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -38.43 -49.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.24 -11.07 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' B' ' 680' ' ' ASP . 17.2 mmtp -142.77 31.12 1.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.196 -0.315 . . . . 0.0 111.697 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.516 ' CB ' ' HG2' ' B' ' 671' ' ' GLN . . . -61.71 -38.28 87.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.25 69.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.143 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 680' ' ' ASP . . . . . 0.562 ' HB2' ' HD2' ' B' ' 677' ' ' LYS . 7.8 t70 -80.91 -37.53 29.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 677' ' ' LYS . 42.2 mm -69.77 -47.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.214 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.56 -39.38 75.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 109.977 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.13 -46.69 89.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.074 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 684' ' ' GLY . . . . . 0.442 ' HA2' ' HE2' ' B' ' 687' ' ' LYS . . . -62.39 -41.69 99.75 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.74 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 681' ' ' ILE . 95.9 mt -57.47 -39.02 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.97 0.414 . . . . 0.0 111.261 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -95.91 17.33 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.011 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.442 ' HE2' ' HA2' ' B' ' 684' ' ' GLY . 34.0 ttpt -128.22 -53.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.419 ' HB3' HD12 ' B' ' 691' ' ' ILE . 19.1 m120 -125.6 79.22 67.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.938 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.621 ' HG2' ' HB3' ' B' ' 649' ' ' GLN . 34.0 Cg_exo -57.29 -48.44 17.72 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.079 2.519 . . . . 0.0 112.758 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 42.2 m -72.88 1.77 8.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' B' ' 688' ' ' ASN . 58.3 mt -112.43 -58.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.562 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -68.53 -47.69 66.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -173.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.547 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 97.9 t -57.01 -48.84 96.78 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.547 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.3 Cg_exo -54.54 -41.56 76.13 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 121.704 1.603 . . . . 0.0 112.328 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.562 HD12 HD23 ' A' ' 223' ' ' LEU . 76.9 mt -67.67 -54.69 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.114 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 692' ' ' ALA . 11.1 m -60.01 -34.83 57.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.501 HD21 ' HG2' ' B' ' 635' ' ' GLU . 2.0 tm? -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.41 -50.06 74.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -60.91 -37.49 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 -178.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.64 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 41.1 mt -68.74 -39.37 80.36 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.308 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.454 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.7 OUTLIER -60.98 -44.55 97.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.33 0.586 . . . . 0.0 110.022 174.705 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 9.3 ttt -53.16 -52.88 57.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.323 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -29.13 59.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -177.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -55.36 -55.98 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.102 0.477 . . . . 0.0 110.299 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.2 mt-10 -70.55 -35.96 73.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.709 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.52 -51.67 68.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.0 110.009 175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.574 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 6.0 m0 -68.24 -29.3 68.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.17 -43.41 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.86 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 47.9 mm-40 -62.06 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 710' ' ' ALA . . . . . 0.587 ' HB1' HD23 ' A' ' 207' ' ' LEU . . . -65.15 -51.42 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.296 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.541 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 15.5 tt0 -63.56 -34.81 78.62 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.651 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.699 ' HG3' ' HD3' ' B' ' 716' ' ' LYS . 46.5 ttm105 -63.06 -50.24 71.4 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.185 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 713' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -62.73 -46.28 94.0 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.201 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.4 -66.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.483 -0.422 . . . . 0.0 112.055 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.561 ' HA ' ' HE ' ' B' ' 617' ' ' ARG . 3.5 m-20 -67.86 -55.2 13.79 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.006 -171.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.699 ' HD3' ' HG3' ' B' ' 712' ' ' ARG . 64.4 tttp -62.43 -57.8 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 712' ' ' ARG . 40.8 t -53.58 -43.34 53.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 O-C-N 123.402 0.439 . . . . 0.0 111.84 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -57.52 -47.14 82.76 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.277 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 79.1 ttt180 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 5.4 mm-40 -58.55 -34.78 71.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.196 0.522 . . . . 0.0 110.04 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -83.73 -20.74 32.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.048 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -81.18 -34.38 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.555 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 67.2 mm-40 -53.39 -36.34 61.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -132.32 -167.06 1.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 35.3 t80 73.19 -30.54 0.21 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 74.18 147.42 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.601 0.76 . . . . 0.0 111.497 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.6 mt -86.52 113.65 22.61 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 728' ' ' LYS . . . . . 0.584 ' H ' ' HD3' ' B' ' 728' ' ' LYS . 0.0 OUTLIER -92.54 -1.76 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -177.49 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.558 -179.367 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.815 0.341 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -142.23 146.61 35.37 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -84.74 103.93 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.422 . . . . 0.0 110.331 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' B' ' 710' ' ' ALA . . . -108.79 145.77 34.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.899 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -110.89 118.73 36.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.077 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 98.2 mt -84.52 83.42 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.19 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -87.33 -36.63 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 70.72 -62.46 0.44 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.464 0.706 . . . . 0.0 111.144 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.6 tp -84.54 161.22 20.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.728 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.555 ' HG ' HD11 ' A' ' 216' ' ' ILE . 0.4 OUTLIER -111.29 162.29 15.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.55 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -54.98 129.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.388 0.43 . . . . 0.0 111.777 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -53.56 -25.17 16.0 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.449 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.4 -40.32 82.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.8 -39.15 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.555 HD11 ' HG ' ' A' ' 211' ' ' LEU . 2.1 mp -57.4 -44.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.021 0.438 . . . . 0.0 109.866 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 67.3 mtt -61.7 -42.48 98.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -35.14 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 98.6 m-20 -63.83 -47.26 81.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 223' ' ' LEU . 10.0 mp -58.63 -41.29 85.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 221' ' ' ARG . 4.2 mmp_? -61.72 -46.59 89.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.442 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.613 ' HA ' ' HE3' ' A' ' 225' ' ' LYS . 86.8 m -61.05 -37.5 82.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.295 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -55.66 -36.66 67.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.274 0.559 . . . . 0.0 110.411 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -84.26 -33.4 24.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.845 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 225' ' ' LYS . . . . . 0.613 ' HE3' ' HA ' ' A' ' 222' ' ' THR . 57.0 mtmt -67.73 -19.16 65.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.654 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 226' ' ' LEU . 3.3 mm? -81.57 -17.97 46.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.992 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -82.18 93.71 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.684 -176.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -138.69 127.5 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 67.1 -176.31 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.934 0.772 . . . . 0.0 110.8 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.05 -32.57 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -99.3 84.54 3.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 51.7 mt -82.68 90.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.412 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -104.67 101.47 11.1 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 612' ' ' ARG . . . . . 0.686 ' HB3' ' HB2' ' B' ' 616' ' ' GLU . 42.5 mtt180 -119.44 122.67 42.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.805 0.812 . . . . 0.0 111.986 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 77.3 m -144.18 -31.91 0.44 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.762 172.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.76 -37.83 29.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.605 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 619' ' ' GLU . 60.5 m-20 -108.65 7.54 26.59 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.704 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.686 ' HB2' ' HB3' ' B' ' 612' ' ' ARG . 25.7 tt0 -82.16 -52.09 7.33 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.166 -172.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -63.66 -52.16 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.61 -36.68 76.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.248 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.525 ' O ' HG12 ' B' ' 623' ' ' VAL . 9.3 tp10 -57.89 -46.8 84.37 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.023 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.487 ' O ' HD23 ' B' ' 624' ' ' LEU . 2.6 mm? -62.22 -51.96 65.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.39 -172.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.05 -44.46 96.64 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.271 0.558 . . . . 0.0 110.446 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.14 -46.39 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.9 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.525 HG12 ' O ' ' B' ' 619' ' ' GLU . 14.8 p -62.33 -38.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.753 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.556 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -61.5 -46.54 89.56 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.306 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.06 -42.99 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.004 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.574 HG23 ' HB ' ' B' ' 665' ' ' ILE . 35.2 m -60.6 -45.97 92.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.249 0.547 . . . . 0.0 110.422 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.541 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.35 -51.21 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.201 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.9 tt -64.56 -32.32 73.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.969 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.436 0.636 . . . . 0.0 109.847 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.537 HG22 HD23 ' B' ' 634' ' ' LEU . 24.6 m -67.57 -34.48 77.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.092 175.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.541 HG12 ' O ' ' B' ' 627' ' ' ASN . 47.0 mm -58.84 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 173.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 57.0 mtp180 -52.73 -56.69 13.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.1 p -65.82 -41.61 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.806 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.0 mm? -62.8 -46.36 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.359 -0.213 . . . . 0.0 111.508 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.92 -37.69 83.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.387 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.0 77.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.491 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.602 HG12 ' O ' ' B' ' 633' ' ' VAL . 33.3 mm -60.79 -50.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.038 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -62.4 -35.64 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.45 . . . . 0.0 110.791 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -72.44 -33.69 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.744 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -73.62 -44.19 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 96.4 mt -58.01 -35.88 71.89 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.908 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.6 p 43.62 32.59 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 61.24 33.91 18.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.116 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.732 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.9 mt -57.05 161.64 2.95 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.408 172.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 38.4 p -78.07 173.29 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.181 -0.207 . . . . 0.0 110.767 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.12 70.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 647' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' B' ' 647' ' ' GLU . 1.7 mp0 -60.48 -40.5 91.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.964 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.732 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 42.5 mt-10 -79.39 -28.26 41.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.159 -176.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.52 ' OE1' HD22 ' B' ' 641' ' ' LEU . 80.3 mm-40 -72.45 -24.7 61.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.223 0.535 . . . . 0.0 110.306 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.25 22.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.72 -57.3 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.244 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -103.42 100.47 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 15.8 ttp180 -126.44 149.61 49.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.702 -174.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.99 102.24 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.669 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -129.22 -64.18 0.91 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -100.6 -6.43 25.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.156 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -36.28 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.953 -175.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.9 mp -91.89 -8.66 45.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 110.911 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -95.0 -174.44 37.81 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.972 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 90.35 115.39 1.71 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.309 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 69.5 p 52.5 -82.25 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.618 1.167 . . . . 0.0 113.804 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 662' ' ' SER . . . . . 0.622 ' HB3' HD11 ' B' ' 665' ' ' ILE . 22.1 m -78.28 43.44 0.45 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.867 0.467 . . . . 0.0 111.768 -175.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -72.33 -50.69 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.59 -43.6 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.301 -175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.622 HD11 ' HB3' ' B' ' 662' ' ' SER . 46.9 pt -66.72 -34.02 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.183 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -69.7 -47.18 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.373 0.606 . . . . 0.0 109.719 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.21 -44.03 85.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -62.18 -40.93 97.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.256 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -63.28 -43.1 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.13 -44.32 92.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.914 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.424 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 95.1 mt-30 -66.54 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.78 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -76.04 -30.35 58.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.679 0.276 . . . . 0.0 111.086 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.459 HG13 ' CD2' ' B' ' 674' ' ' TYR . 47.8 pt -96.13 -20.28 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.281 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.474 ' CD1' HG13 ' B' ' 681' ' ' ILE . 53.9 m-85 -122.34 38.73 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -41.91 -35.58 0.88 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.66 -45.73 13.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -121.55 38.06 4.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.804 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -59.8 -45.7 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.4 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.3 71.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.625 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.34 -36.77 63.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.093 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.7 mm -76.8 -40.11 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.575 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 36.7 mm -56.39 -46.4 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 110.004 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.76 -37.49 76.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.72 -40.12 96.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.592 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.614 HD21 HG11 ' B' ' 696' ' ' VAL . 96.4 mt -62.29 -40.7 97.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.086 0.469 . . . . 0.0 110.494 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.541 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 55.6 mtp180 -84.32 -2.67 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.432 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -93.69 -62.92 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.5 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 6.5 m120 -138.81 92.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.498 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.48 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 30.4 Cg_endo -64.0 -26.0 66.41 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.846 2.364 . . . . 0.0 112.538 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 10.8 p -73.15 -11.92 60.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 0.0 111.285 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 66.6 mt -108.54 -59.42 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.161 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.68 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 72.3 t -56.49 -53.85 59.7 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -174.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 10.5 Cg_endo -55.84 -44.38 48.07 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.817 1.678 . . . . 0.0 112.453 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.06 -53.97 34.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.161 0.505 . . . . 0.0 110.861 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.614 HG11 HD21 ' B' ' 685' ' ' LEU . 2.0 p -64.57 -34.29 68.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.624 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.806 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 0.5 OUTLIER -64.06 -44.14 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.757 177.377 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 698' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 64.0 mttp -58.19 -44.0 87.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.711 0.291 . . . . 0.0 110.767 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.423 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 33.1 mmt180 -61.0 -40.45 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 56.9 mt -63.96 -45.62 88.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.374 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 14.0 mmmm -65.97 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.974 0.416 . . . . 0.0 110.587 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.12 -45.41 92.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.3 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 58.5 mmtt -72.23 -32.81 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.525 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.33 -42.84 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.84 -49.56 76.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.051 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.69 -50.29 73.68 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.134 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.556 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 7.5 m0 -66.98 -31.58 72.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -176.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -65.3 -44.34 88.21 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.624 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.1 -39.86 79.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.408 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 710' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 205' ' ' ALA . . . -72.51 -47.55 47.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.209 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.403 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 58.8 tt0 -59.88 -40.28 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 39.8 ttp-105 -60.53 -53.21 60.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.478 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.76 -46.53 94.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.975 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -88.54 -64.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 5.2 m-20 -74.29 -52.1 13.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -169.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.598 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 50.0 tptt -57.5 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.611 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 712' ' ' ARG . 62.0 t -64.69 -36.53 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -59.44 -49.3 78.31 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.452 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 76.0 mtm180 -61.42 -42.52 98.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.71 -178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 17.1 mm-40 -53.92 -46.6 71.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 176.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -73.69 -36.7 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.602 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -71.09 -44.85 64.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.79 -17.41 64.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -101.18 4.81 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.314 0.578 . . . . 0.0 110.615 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -121.11 -35.03 3.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.469 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -70.08 103.28 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.159 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 94.9 mt -98.64 153.24 18.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.502 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -70.54 -34.33 72.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.345 0.593 . . . . 0.0 109.812 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.472 177.344 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' SER . . . . . 0.406 ' HB3' ' OE1' ' B' ' 614' ' ' GLU . 9.2 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.58 0.228 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.93 -36.98 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.647 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.14 -60.17 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.629 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -137.29 157.47 46.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 111.171 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -86.78 141.87 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.676 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.06 109.2 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.393 0.616 . . . . 0.0 110.972 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -79.49 116.74 19.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.777 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.506 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 24.0 m-85 -74.28 -45.55 46.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 672' ' ' ARG . 3.8 mm? -74.56 166.85 22.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.185 -176.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 53.1 mt -91.9 160.56 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 167.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 20.4 p -69.09 131.42 44.97 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 213' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 217' ' ' MET . 13.5 t70 -55.86 -33.89 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.755 -175.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.75 -47.68 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.112 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -75.59 -26.19 57.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.529 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.32 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.243 0.544 . . . . 0.0 109.743 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.576 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 73.4 mtp -66.43 -37.39 85.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.077 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -54.87 -49.05 72.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 5.7 t70 -59.74 -52.04 67.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.3 -43.65 75.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.628 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 217' ' ' MET . 36.0 mmt180 -64.29 -41.52 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.428 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -33.26 73.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.23 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 90.6 mt -62.52 -34.02 76.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.489 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -89.64 -36.33 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.329 0.585 . . . . 0.0 110.226 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -64.39 -57.46 9.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.469 HD22 HD11 ' B' ' 691' ' ' ILE . 58.0 tp 50.51 76.88 0.13 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.365 0.602 . . . . 0.0 110.133 -170.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -88.68 142.27 27.82 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.64 176.635 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.005 0.431 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -86.08 104.24 15.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.149 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -103.56 -21.74 13.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 0.0 110.908 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -135.34 157.07 47.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 66.28 35.01 6.13 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 66.5 mt -83.29 115.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.277 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -80.47 78.38 7.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.435 0.636 . . . . 0.0 110.311 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.715 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 73.1 m -104.35 137.26 42.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.52 174.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 202' ' ' SER . 38.3 mt-10 -68.91 -22.34 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.221 0.534 . . . . 0.0 109.66 174.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 66.14 14.3 9.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.551 -178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.28 -19.92 65.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 171.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.545 ' HA ' HD12 ' B' ' 620' ' ' LEU . 31.9 ttm105 -58.67 -26.19 63.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.647 174.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -65.78 -43.42 88.85 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.36 -33.24 75.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.752 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' B' ' 617' ' ' ARG . 89.7 mt -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 178.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.26 0.552 . . . . 0.0 109.596 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.66 -47.66 92.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.607 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' B' ' 620' ' ' LEU . 9.0 p -66.83 -33.89 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.009 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.5 mm? -65.7 -39.1 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.114 175.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.43 -49.58 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.152 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.676 HG22 ' HB2' ' B' ' 669' ' ' ALA . 29.3 m -55.13 -43.52 74.21 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.594 0.711 . . . . 0.0 110.125 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.477 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.79 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.625 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.43 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.7 mm? -56.49 -40.79 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.48 85.56 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.365 0.602 . . . . 0.0 110.683 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.551 ' HA ' HG12 ' B' ' 633' ' ' VAL . 33.3 m -72.29 -31.65 65.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.853 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 627' ' ' ASN . 20.0 mm -57.04 -50.84 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.913 172.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 78.8 mtp180 -56.79 -52.34 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.602 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' B' ' 630' ' ' THR . 13.7 p -65.32 -43.04 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.686 -175.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.567 HD23 HD12 ' B' ' 637' ' ' ILE . 30.2 mt -68.41 -36.74 79.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.364 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.54 -40.03 95.96 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.308 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.44 98.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.071 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 81.3 mt -63.35 -53.6 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.817 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 638' ' ' GLN . . . . . 0.532 ' HG2' HG12 ' B' ' 693' ' ' VAL . 0.0 OUTLIER -56.23 -43.46 78.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -176.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -77.09 -24.72 51.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.388 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -75.46 -34.27 60.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.205 0.526 . . . . 0.0 109.864 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.8 mt -67.69 -62.82 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 40.5 m 55.18 39.13 31.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.86 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 643' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 643' ' ' ARG . 32.3 mtm180 68.77 85.94 0.14 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.448 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 54.5 mt -94.57 151.7 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.764 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 3.8 m -72.16 159.07 34.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 646' ' ' ALA . . . . . 0.622 ' HA ' HE21 ' B' ' 649' ' ' GLN . . . -57.13 -37.4 71.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.16 -41.99 97.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.227 0.536 . . . . 0.0 110.054 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.497 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 45.5 mt-10 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.622 HE21 ' HA ' ' B' ' 646' ' ' ALA . 47.7 mt-30 -67.39 -27.24 66.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.511 . . . . 0.0 110.386 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.0 57.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 651' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 36.7 ttpt -63.9 -60.94 2.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.952 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -107.21 103.63 13.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.986 0.422 . . . . 0.0 109.875 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -123.04 148.16 45.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.656 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.526 HD11 HG23 ' B' ' 637' ' ' ILE . 2.5 mm? -76.68 95.9 4.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.855 0.36 . . . . 0.0 111.569 -173.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.49 -38.94 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.27 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -105.6 -17.03 14.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.122 0.487 . . . . 0.0 111.372 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 657' ' ' THR . . . . . 0.415 ' HB ' HD12 ' B' ' 654' ' ' LEU . 1.2 m -67.53 -26.38 66.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.049 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 10.2 mp -91.68 1.46 57.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.02 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.602 ' HA2' ' HG2' ' B' ' 663' ' ' GLU . . . -93.92 -131.79 6.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.22 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 94.07 -67.41 1.5 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.684 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 25.6 m -158.46 -51.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.22 0.533 . . . . 0.0 110.544 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 662' ' ' SER . . . . . 0.709 ' HB2' ' HB ' ' B' ' 665' ' ' ILE . 4.0 p -88.8 47.45 1.5 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.541 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.602 ' HG2' ' HA2' ' B' ' 659' ' ' GLY . 42.6 mt-10 -60.07 -48.34 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.12 -36.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.145 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' B' ' 662' ' ' SER . 67.5 mt -70.25 -44.58 77.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.083 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -69.23 -38.66 78.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 109.993 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -60.94 -54.92 39.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.001 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.66 -34.81 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.458 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.676 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -64.76 -47.31 78.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.928 0.394 . . . . 0.0 110.967 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.515 HD23 HD13 ' B' ' 682' ' ' ILE . 12.9 tp -68.28 -33.45 74.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.061 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.453 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 98.2 mt-30 -73.84 -23.86 59.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.396 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.545 ' O ' HD13 ' A' ' 210' ' ' LEU . 61.6 ttm-85 -80.2 -4.34 52.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.41 HG13 ' CD2' ' B' ' 674' ' ' TYR . 15.7 pt -121.87 -39.83 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.528 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.615 ' CD1' HG13 ' B' ' 681' ' ' ILE . 82.5 m-85 -105.34 23.0 14.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 119.412 -0.327 . . . . 0.0 111.847 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -30.92 -58.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -170.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -24.0 60.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -119.93 27.12 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -59.84 -46.72 88.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.462 -175.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.47 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 111.069 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.3 -41.9 55.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.615 HG13 ' CD1' ' B' ' 674' ' ' TYR . 27.8 mm -80.39 -30.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.229 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.515 HD13 HD23 ' B' ' 670' ' ' LEU . 27.5 mm -56.61 -39.99 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.516 0.674 . . . . 0.0 109.272 171.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -76.47 -27.77 56.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.95 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -54.85 -51.36 53.71 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.677 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.4 -24.15 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.778 0.323 . . . . 0.0 111.829 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -89.77 -45.36 9.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -57.12 -57.52 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.182 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.57 87.83 17.18 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.464 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 19.2 Cg_endo -59.53 -39.27 76.85 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.427 2.084 . . . . 0.0 112.656 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.6 m -77.45 1.15 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.344 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.469 HD11 HD22 ' A' ' 226' ' ' LEU . 56.9 mt -112.48 -56.07 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.222 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -71.72 -51.76 21.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' B' ' 638' ' ' GLN . 84.6 t -49.18 -50.89 61.15 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -173.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.8 Cg_endo -57.29 -46.8 25.68 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.008 1.805 . . . . 0.0 112.975 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.52 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.5 mt -68.29 -53.21 30.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.25 -43.35 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.956 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' B' ' 634' ' ' LEU . 51.4 tp -65.57 -37.56 87.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.735 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.47 -39.41 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.664 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 36.5 mmt180 -63.53 -37.15 86.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.182 0.515 . . . . 0.0 109.633 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.459 HD22 HD12 ' B' ' 634' ' ' LEU . 45.0 tp -71.96 -29.04 63.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.813 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 64.2 mmtt -73.29 -34.84 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.082 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 57.1 ttp -66.84 -41.32 87.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.335 0.588 . . . . 0.0 109.503 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.65 -35.44 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 27.2 tt0 -53.38 -52.47 59.17 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 109.988 175.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.6 tt0 -54.55 -54.43 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.543 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -56.27 -52.91 62.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.506 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 7.3 m0 -59.94 -41.34 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -70.1 -30.02 67.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -178.35 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 43.4 mm-40 -69.6 -38.22 77.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 710' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' B' ' 714' ' ' PHE . . . -67.53 -39.68 85.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.224 0.535 . . . . 0.0 109.792 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 34.3 tt0 -60.09 -36.23 76.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.3 ttm-85 -55.45 -46.17 76.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 713' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -77.7 -37.07 31.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.193 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 714' ' ' PHE . . . . . 0.438 ' HD2' ' O ' ' B' ' 710' ' ' ALA . 93.8 m-85 -88.76 -61.64 1.66 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.01 0.405 . . . . 0.0 112.081 -177.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.502 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 25.3 t-20 -65.6 -55.02 19.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.503 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' B' ' 720' ' ' GLU . 26.7 ttpp -64.28 -54.02 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.317 -175.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.456 ' O ' ' HG2' ' B' ' 721' ' ' GLN . 92.0 t -59.6 -41.51 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.499 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -60.32 -45.6 92.84 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.229 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.68 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.605 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 50.0 mt-10 -60.89 -44.86 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.355 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 30.5 mm-40 -72.61 -26.78 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 -178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.32 -47.86 12.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -80.4 -36.63 33.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.822 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -104.36 145.16 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.293 0.568 . . . . 0.0 111.172 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.01 86.11 5.74 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.992 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -83.87 -13.5 53.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.394 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 50.1 mt -90.09 45.01 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.537 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -85.05 -15.49 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.606 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.652 -0.689 . . . . 0.0 109.722 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -94.78 123.21 38.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -163.49 132.15 3.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -79.24 85.3 5.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -89.64 127.1 35.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.556 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -141.19 149.23 41.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.967 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -88.32 137.43 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -73.63 -21.07 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.794 0.331 . . . . 0.0 111.187 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' B' ' 673' ' ' ILE . 6.7 mp -84.5 171.77 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.127 0.489 . . . . 0.0 111.624 -176.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.535 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 62.9 mt -100.75 -169.0 1.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.206 174.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 212' ' ' THR . . . . . 0.482 ' O ' HG13 ' A' ' 216' ' ' ILE . 21.6 p -104.18 138.98 39.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 172.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.85 -38.08 69.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.616 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -57.77 -45.21 86.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.25 -32.47 70.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.323 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.637 HG21 ' HB2' ' B' ' 677' ' ' LYS . 60.8 mt -65.23 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.405 0.622 . . . . 0.0 109.98 175.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.662 ' SD ' ' HE2' ' B' ' 677' ' ' LYS . 87.9 mmm -65.67 -38.78 90.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.606 177.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.3 -40.45 94.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 9.2 t70 -56.48 -55.08 38.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.589 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' B' ' 680' ' ' ASP . 96.0 mt -55.92 -44.89 78.75 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.753 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -59.03 -46.14 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.395 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 87.8 m -63.7 -41.08 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.641 HD23 HD12 ' B' ' 695' ' ' ILE . 89.4 mt -53.99 -38.42 65.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.921 0.391 . . . . 0.0 111.395 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -101.8 13.49 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.744 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 225' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 225' ' ' LYS . 34.7 mmtm -107.89 -3.84 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.459 HD22 HG23 ' B' ' 691' ' ' ILE . 9.1 mp -108.14 135.91 48.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -121.93 121.18 36.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.111 0.482 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.25 1.087 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.584 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 606' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' B' ' 609' ' ' HIS . 9.2 m120 -108.31 113.65 26.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.12 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -102.32 -48.02 4.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.588 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.4 2.94 55.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.271 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 609' ' ' HIS . . . . . 0.644 ' HB3' ' HB3' ' B' ' 606' ' ' ASN . 18.7 t-80 -105.24 89.29 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.72 111.31 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -116.22 96.83 5.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.973 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -135.83 -27.36 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.733 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 71.9 m -145.19 118.44 8.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.908 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -112.78 -77.19 0.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.58 10.24 41.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.527 0.679 . . . . 0.0 110.174 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 2.2 tp10 -69.11 -52.81 24.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.502 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' B' ' 620' ' ' LEU . 0.1 OUTLIER -64.25 -38.56 91.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.999 179.007 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 622' ' ' VAL . 80.1 t80 -59.91 -45.47 92.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.629 ' O ' HG23 ' B' ' 623' ' ' VAL . 42.3 tt0 -62.48 -38.63 90.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.23 177.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 624' ' ' LEU . 93.7 mt -57.7 -46.1 84.81 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.59 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.8 -40.94 97.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.945 178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 622' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 618' ' ' PHE . 96.4 t -60.41 -46.52 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 619' ' ' GLU . 84.5 t -56.1 -57.02 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 620' ' ' LEU . 4.4 mm? -58.03 -47.4 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.571 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.89 -46.98 82.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.557 HG22 ' HB2' ' B' ' 669' ' ' ALA . 28.4 m -62.11 -35.08 77.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.297 0.57 . . . . 0.0 109.999 178.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -62.05 -53.52 54.38 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.09 175.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.47 -39.8 73.8 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.445 0.466 . . . . 0.0 111.52 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.2 89.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 110.366 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 41.9 m -68.46 -39.26 81.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.064 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.56 HD11 ' HG ' ' B' ' 700' ' ' LEU . 32.0 mm -58.78 -55.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.482 174.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 632' ' ' ARG . 27.4 mtm180 -56.05 -46.03 79.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.965 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.487 ' O ' HG13 ' B' ' 637' ' ' ILE . 11.6 p -68.58 -44.28 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.221 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.601 HD23 HD12 ' B' ' 637' ' ' ILE . 46.2 mt -67.6 -35.7 79.46 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.265 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.96 -44.43 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.722 0.296 . . . . 0.0 110.229 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.253 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.612 HG21 HD21 ' B' ' 654' ' ' LEU . 95.2 mt -66.17 -52.48 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.178 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -57.55 -46.83 83.44 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.345 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -72.44 -24.24 61.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.766 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -76.14 -40.2 53.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.087 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.0 mt -59.06 -58.81 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 11.8 p 47.19 41.93 12.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.343 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 643' ' ' ARG . . . . . 0.642 ' HA ' ' OG ' ' B' ' 690' ' ' SER . 71.8 mtp180 65.8 93.71 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.565 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.617 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 78.8 mt -97.6 153.64 18.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.073 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.4 m -80.77 173.96 12.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.736 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.82 79.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 0.0 111.616 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.01 -38.48 86.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.4 mt-10 -68.73 -34.16 75.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.2 mt-30 -72.57 -23.05 60.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.001 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.09 -38.86 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.92 -59.29 3.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.128 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -110.69 105.29 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.702 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 28.4 ttm180 -130.03 160.11 34.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.719 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.612 HD21 HG21 ' B' ' 637' ' ' ILE . 87.2 mt -73.53 83.68 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.268 0.556 . . . . 0.0 111.408 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.72 -74.73 0.62 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.687 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.67 -28.07 19.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.1 m -66.3 -32.06 73.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.372 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.478 HD22 HD13 ' B' ' 654' ' ' LEU . 52.4 tp -95.9 -40.08 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.093 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.587 ' HA2' ' HA ' ' B' ' 663' ' ' GLU . . . -104.31 -97.84 2.48 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.81 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 57.54 -108.98 1.53 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.19 -0.528 . . . . 0.0 112.83 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 52.5 p -91.97 -28.27 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.158 0.504 . . . . 0.0 111.044 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 15.3 m -108.12 27.72 9.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.72 -173.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.587 ' HA ' ' HA2' ' B' ' 659' ' ' GLY . 29.8 tt0 -55.53 -60.27 3.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.074 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.01 -37.16 33.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.612 0.57 . . . . 0.0 111.857 -173.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.54 -51.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.069 0.462 . . . . 0.0 111.0 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -82.32 -32.23 29.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 110.155 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -59.21 -51.07 71.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.443 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -69.07 -41.79 77.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -61.04 -42.17 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 17.0 tp -69.71 -37.12 76.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.32 -23.7 64.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.374 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 210' ' ' LEU . 41.3 ttm180 -60.42 -28.54 68.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.644 0.259 . . . . 0.0 111.01 177.015 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.535 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.1 pt -110.24 -41.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.412 ' CD1' HG23 ' A' ' 216' ' ' ILE . 22.7 m-85 -100.04 27.65 5.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.459 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.93 0.35 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.11 -36.87 72.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.662 ' HE2' ' SD ' ' A' ' 217' ' ' MET . 46.7 mmtm -114.77 26.74 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.366 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.94 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.701 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 680' ' ' ASP . . . . . 0.445 ' HB3' ' CD2' ' A' ' 220' ' ' LEU . 4.2 m-20 -77.9 -41.57 36.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.776 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 50.5 mm -65.1 -47.01 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.063 0.458 . . . . 0.0 110.231 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.84 -38.8 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.68 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 683' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' B' ' 687' ' ' LYS . 17.2 t70 -56.58 -50.16 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.188 172.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.74 99.75 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.368 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.695 HD21 HG21 ' B' ' 696' ' ' VAL . 72.1 mt -56.77 -45.41 82.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 0.0 111.126 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.515 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 65.4 mtp180 -91.93 17.11 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 -177.083 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 683' ' ' ASP . 2.7 tppp? -116.82 -57.87 2.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -133.8 82.64 49.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.937 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.44 -27.74 54.48 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.184 1.923 . . . . 0.0 112.154 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 690' ' ' SER . . . . . 0.642 ' OG ' ' HA ' ' B' ' 643' ' ' ARG . 11.5 t -74.86 -6.13 47.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.237 0.541 . . . . 0.0 110.434 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.459 HG23 HD22 ' A' ' 226' ' ' LEU . 68.3 mt -111.54 -53.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.01 176.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -68.83 -51.06 44.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.622 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.544 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 90.8 t -53.94 -49.3 90.39 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.544 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.3 Cg_exo -55.77 -41.19 79.96 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.697 1.598 . . . . 0.0 112.604 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.641 HD12 HD23 ' A' ' 223' ' ' LEU . 51.4 mt -71.09 -50.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.778 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.695 HG21 HD21 ' B' ' 685' ' ' LEU . 17.9 m -64.19 -35.08 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.87 -36.04 81.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.37 -44.19 92.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.196 0.522 . . . . 0.0 109.759 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -46.84 86.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.059 175.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' B' ' 631' ' ' ILE . 27.0 tp -66.07 -36.44 83.22 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.194 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.68 -42.29 91.45 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.094 0.474 . . . . 0.0 110.411 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -59.84 -46.52 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.097 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -71.43 -32.63 68.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.91 -51.23 70.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 44.0 mt-10 -61.03 -39.05 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.448 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.0 -54.38 47.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.827 0.346 . . . . 0.0 110.115 177.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -61.01 -44.23 97.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.754 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -65.18 -42.21 93.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 25.2 mt-10 -66.47 -37.49 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.468 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -63.98 -34.2 77.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.573 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.51 -42.79 99.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 713' ' ' GLY . . . . . 0.515 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -67.98 -35.27 83.86 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.067 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -88.67 -64.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.923 0.362 . . . . 0.0 111.74 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 47.8 t-20 -70.12 -56.08 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.314 -172.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 21.2 tptm -67.3 -44.33 79.5 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.073 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' B' ' 713' ' ' GLY . 57.3 t -62.7 -36.59 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.407 0.146 . . . . 0.0 110.826 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -55.73 -47.87 76.18 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 74.1 mtt180 -59.3 -50.12 75.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.326 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 8.0 mm-40 -54.41 -43.85 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.956 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -89.31 -34.44 16.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -71.77 -43.61 65.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.859 0.361 . . . . 0.0 110.482 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -75.51 -56.84 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 38.8 tttp 51.72 90.34 0.02 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.951 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -146.82 43.76 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.83 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 726' ' ' TYR . . . . . 0.439 ' HD2' ' HG ' ' B' ' 727' ' ' LEU . 66.4 t80 -66.62 -32.48 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.149 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 727' ' ' LEU . . . . . 0.439 ' HG ' ' HD2' ' B' ' 726' ' ' TYR . 82.2 mt -128.28 -167.29 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.392 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -90.24 -86.41 0.2 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.862 -0.59 . . . . 0.0 109.454 173.587 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.905 0.383 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -142.03 119.11 11.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.394 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -88.79 81.37 6.99 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -82.59 99.2 9.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.637 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -83.04 117.25 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.07 0.462 . . . . 0.0 109.936 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 89.2 mt -100.63 93.95 5.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.18 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -79.86 -27.25 40.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.176 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.7 ' HB3' ' HD2' ' B' ' 672' ' ' ARG . 85.2 m-85 69.74 -62.36 0.42 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 18.8 tp -62.7 156.83 22.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.786 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 211' ' ' LEU . 4.2 mm? -81.99 164.82 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 171.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 212' ' ' THR . . . . . 0.43 ' O ' HG13 ' A' ' 216' ' ' ILE . 24.6 p -68.1 147.4 52.38 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.009 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.14 -38.58 58.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.43 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.58 -36.91 81.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.267 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -77.1 -31.01 55.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.595 0.236 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.482 HG12 ' HD1' ' B' ' 674' ' ' TYR . 75.1 mt -59.67 -50.32 80.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.588 0.709 . . . . 0.0 109.719 174.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 40.6 ttm -68.41 -28.11 66.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.637 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.46 -49.88 76.07 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 13.0 m-20 -63.11 -46.36 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.479 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.74 -36.53 79.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.936 0.398 . . . . 0.0 110.325 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.72 -34.02 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.17 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 88.4 m -62.51 -41.02 98.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.174 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 71.4 mt -61.9 -36.86 82.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.274 0.559 . . . . 0.0 110.046 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -15.91 60.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.673 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -76.95 -20.58 55.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.374 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.435 ' HG ' HG23 ' B' ' 691' ' ' ILE . 4.5 mm? -86.6 139.2 31.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -80.9 95.29 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.441 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.399 178.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.812 0.339 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -126.67 -25.27 3.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 73.34 -59.43 0.57 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.9 135.29 53.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -78.69 86.25 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.256 0.551 . . . . 0.0 111.327 -173.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 51.4 mm -84.4 134.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.049 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.552 ' HE1' ' HB3' ' B' ' 614' ' ' GLU . 47.1 t80 -57.01 105.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.314 0.578 . . . . 0.0 111.511 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -141.87 111.91 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.864 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 57.2 m 59.39 89.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.599 0.562 . . . . 0.0 112.074 174.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.552 ' HB3' ' HE1' ' B' ' 611' ' ' TYR . 9.5 tp10 -136.21 6.26 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.496 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.46 18.21 3.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.937 0.399 . . . . 0.0 110.104 -173.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -63.18 1.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.881 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -51.46 -46.19 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.577 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.12 -42.49 94.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.798 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 619' ' ' GLU . . . . . 0.405 ' O ' HG12 ' B' ' 623' ' ' VAL . 17.7 tt0 -67.11 -33.67 75.95 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.264 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.65 -49.47 66.1 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.649 0.261 . . . . 0.0 110.574 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.24 -39.63 87.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.277 . . . . 0.0 111.134 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.26 -51.54 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.436 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.414 HG13 HD22 ' B' ' 624' ' ' LEU . 14.2 p -64.34 -39.4 85.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.8 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.0 mm? -64.51 -45.46 87.15 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.042 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.64 -50.8 67.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.768 0.318 . . . . 0.0 110.72 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 626' ' ' THR . . . . . . . . . . . . . 20.3 m -57.58 -43.24 84.41 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.441 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.429 ' O ' HG12 ' B' ' 631' ' ' ILE . 23.4 t-20 -63.65 -49.6 72.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.925 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.14 -38.66 80.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.11 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 110.204 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 35.2 m -66.07 -39.52 90.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.901 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.584 HD11 ' HG ' ' B' ' 700' ' ' LEU . 29.7 mm -57.46 -55.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.72 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -59.24 -42.86 92.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.819 -175.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.528 ' O ' HG13 ' B' ' 637' ' ' ILE . 14.8 p -70.32 -42.0 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.884 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.592 HD23 HD12 ' B' ' 637' ' ' ILE . 38.5 mt -68.29 -38.87 82.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.312 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.58 ' HG2' HD21 ' B' ' 697' ' ' LEU . 2.2 mt-10 -66.78 -34.09 77.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.617 0.246 . . . . 0.0 110.422 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.75 86.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 109.935 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.592 HD12 HD23 ' B' ' 634' ' ' LEU . 96.8 mt -60.33 -51.98 66.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.669 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 638' ' ' GLN . . . . . 0.442 HE22 ' HG3' ' B' ' 694' ' ' PRO . 6.2 tp60 -59.52 -37.27 77.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.866 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -64.77 -34.69 78.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.62 -30.04 33.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 76.1 mt -70.55 -68.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.793 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.8 t 62.24 18.24 9.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.645 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 643' ' ' ARG . . . . . 0.499 ' HA ' ' HB3' ' B' ' 690' ' ' SER . 56.6 mtt85 71.62 92.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.997 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 88.9 mt -101.59 174.34 6.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.0 m -79.88 169.65 17.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.089 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.8 82.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.038 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.31 -40.72 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.971 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.8 mt-10 -79.8 -29.36 40.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -176.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -73.86 -33.6 64.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.7 -21.85 57.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.354 0.597 . . . . 0.0 109.777 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.08 -61.08 2.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.795 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -105.34 88.74 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.448 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' B' ' 686' ' ' ARG . 44.7 ttp180 -107.25 152.16 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.76 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.528 HD21 HG23 ' B' ' 637' ' ' ILE . 52.3 mt -80.51 97.11 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -107.35 -84.07 0.53 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.232 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -74.84 -17.29 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 3.3 m -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.171 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.9 tt -120.76 -46.91 2.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.383 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.557 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -110.37 59.22 0.36 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -113.85 -117.49 3.33 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.896 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 38.8 p -91.46 -11.55 37.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 13.4 m -113.9 23.6 12.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.572 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.557 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 7.6 pt-20 -65.36 -27.8 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.07 -48.02 79.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.54 -36.45 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.727 0.299 . . . . 0.0 111.034 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 666' ' ' HIS . . . . . 0.45 ' NE2' HG11 ' B' ' 633' ' ' VAL . 74.0 m80 -65.82 -54.04 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.49 -176.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 36.1 ttp180 -71.23 -39.39 71.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.53 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.8 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.52 86.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 0.0 110.536 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 670' ' ' LEU . 0.2 OUTLIER -64.67 -38.25 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 110.014 177.466 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 93.8 mt-30 -72.97 -24.24 60.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.813 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.7 ' HD2' ' HB3' ' A' ' 209' ' ' TYR . 17.6 tpp180 -67.67 -28.06 67.37 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.578 177.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.62 -30.62 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.482 ' HD1' HG12 ' A' ' 216' ' ' ILE . 42.3 m-85 -137.97 52.44 1.86 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.377 0.132 . . . . 0.0 111.173 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -39.79 -54.65 2.08 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.49 -3.13 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.555 ' O ' HG12 ' B' ' 681' ' ' ILE . 7.5 tppt? -141.62 14.31 2.14 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.567 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.5 88.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.43 78.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.859 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.44 -35.62 79.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.298 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 677' ' ' LYS . 41.1 mm -73.16 -37.7 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.624 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.51 -39.97 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.755 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.24 -40.69 98.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.44 -45.59 94.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.115 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.682 HD21 HG11 ' B' ' 696' ' ' VAL . 95.8 mt -59.41 -40.99 88.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.985 0.421 . . . . 0.0 110.765 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.528 ' O ' ' HG3' ' B' ' 653' ' ' ARG . 1.0 OUTLIER -65.46 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.725 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -77.46 -25.78 50.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.646 -168.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.432 ' HB3' HD12 ' B' ' 691' ' ' ILE . 10.4 m120 -130.92 62.68 66.88 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 122.339 -0.225 . . . . 0.0 110.892 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.458 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 32.9 Cg_endo -63.67 -37.93 43.69 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.056 1.837 . . . . 0.0 112.689 -173.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 690' ' ' SER . . . . . 0.499 ' HB3' ' HA ' ' B' ' 643' ' ' ARG . 50.9 m -74.84 -2.69 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.858 -0.526 . . . . 0.0 111.107 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.435 HG23 ' HG ' ' A' ' 226' ' ' LEU . 42.3 mt -106.19 -62.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.013 177.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.46 -39.26 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.623 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 64.4 t -54.46 -55.23 39.71 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.623 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -53.77 -46.81 30.94 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.101 1.867 . . . . 0.0 112.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.8 -50.91 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.682 HG11 HD21 ' B' ' 685' ' ' LEU . 0.8 OUTLIER -65.83 -34.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -176.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.58 HD21 ' HG2' ' B' ' 635' ' ' GLU . 59.0 tp -68.32 -37.0 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.205 177.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.81 -45.26 95.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.434 ' HG3' ' OD2' ' A' ' 219' ' ' ASP . 35.7 mmt180 -65.7 -40.33 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.553 178.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' B' ' 631' ' ' ILE . 31.3 tp -71.43 -33.34 69.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.076 -175.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' B' ' 701' ' ' LYS . 7.7 tptm -70.39 -38.11 74.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.803 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 51.0 ttp -61.62 -45.04 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.076 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.484 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 53.8 mmtt -68.18 -36.36 79.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.245 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.416 ' HG3' HG13 ' B' ' 631' ' ' ILE . 2.8 tm-20 -55.89 -44.6 78.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.78 -47.36 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.372 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.51 -49.15 77.24 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.484 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 6.7 m0 -64.26 -39.28 93.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -35.14 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.982 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.03 -32.8 69.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.4 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.55 -44.74 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -63.1 -35.04 78.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.985 0.421 . . . . 0.0 110.016 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 60.2 ttp180 -65.23 -39.8 93.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.759 174.104 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -61.82 -45.99 95.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.765 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 714' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' B' ' 718' ' ' TRP . 93.1 m-85 -88.62 -66.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.954 0.377 . . . . 0.0 111.773 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.29 -53.53 42.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 111.865 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 58.3 tptt -61.02 -60.17 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.242 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 712' ' ' ARG . 84.6 t -60.86 -43.33 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.846 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 718' ' ' TRP . . . . . 0.426 ' HB3' ' O ' ' B' ' 714' ' ' PHE . 29.2 t90 -59.64 -47.0 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.949 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 719' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 53.3 ttp180 -62.38 -51.96 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.101 -0.239 . . . . 0.0 110.901 -177.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 70.3 mm-40 -59.47 -39.84 85.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -176.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -73.66 -28.32 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.216 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.64 -43.49 37.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 723' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 11.4 pt-20 -81.56 -3.64 53.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.6 165.26 11.15 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.045 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 5.3 t80 58.07 53.96 6.31 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.601 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -77.14 -15.7 59.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 63.5 mt -103.74 116.5 32.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.565 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -79.76 130.22 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.279 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.145 179.003 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -177.29 145.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -136.05 -78.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.064 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -155.92 124.75 6.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.69 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -91.56 132.24 36.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.09 84.84 5.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.333 0.587 . . . . 0.0 110.678 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.56 -40.61 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.584 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.519 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 49.9 m-85 68.53 -59.85 0.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.577 0.751 . . . . 0.0 111.655 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 34.8 tp -68.56 163.65 23.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.121 0.568 . . . . 0.0 111.013 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' B' ' 673' ' ' ILE . 5.5 mt -91.63 139.14 30.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.81 0.338 . . . . 0.0 110.1 173.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.6 m -62.96 137.54 58.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.805 174.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.9 -22.33 47.88 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.754 0.312 . . . . 0.0 111.034 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.71 -55.3 27.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -68.16 -37.66 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.637 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.55 -52.95 55.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.997 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.37 -32.53 73.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.421 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.06 -46.99 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.074 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.23 -50.85 71.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.1 mp -54.82 -46.54 74.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.106 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.66 -37.99 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.7 m -64.01 -46.46 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.744 0.307 . . . . 0.0 110.355 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.83 -31.89 72.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.374 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -86.11 -23.46 26.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -100.17 -31.92 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.492 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.1 tt -84.53 87.55 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -121.6 148.81 44.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.211 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.029 -179.48 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.524 0.202 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -120.06 153.69 35.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -100.47 14.58 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.69 163.02 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -90.4 86.1 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.12 0.486 . . . . 0.0 110.178 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.1 137.79 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.192 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.664 ' CE2' ' HA ' ' B' ' 614' ' ' GLU . 11.9 t80 -139.27 97.87 3.39 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -112.0 121.59 45.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.575 -167.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 14.0 t 58.71 32.71 22.47 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.133 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.664 ' HA ' ' CE2' ' B' ' 611' ' ' TYR . 46.0 mt-10 66.46 -0.58 1.48 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.108 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 55.49 19.76 3.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.296 0.638 . . . . 0.0 112.205 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 616' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 8.1 tp10 -68.9 -50.88 45.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -59.76 -36.76 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.365 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.34 -48.16 81.43 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.68 -32.56 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.495 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 92.5 mt -65.62 -44.4 86.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.988 0.423 . . . . 0.0 110.481 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.46 -49.48 77.62 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.104 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.0 -50.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.868 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.7 p -62.82 -40.68 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -63.64 -45.79 88.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.453 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.607 HG22 ' HB2' ' B' ' 669' ' ' ALA . 10.7 m -66.79 -39.47 87.78 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.304 0.574 . . . . 0.0 110.188 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.499 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -58.61 -52.14 66.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.365 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -40.77 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.236 -177.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.56 88.6 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 24.1 m -69.34 -37.25 77.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.511 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.499 HG12 ' O ' ' B' ' 627' ' ' ASN . 32.8 mm -58.58 -50.16 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.173 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -56.23 -50.83 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.604 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.9 p -65.29 -41.7 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.499 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' B' ' 697' ' ' LEU . 32.6 mt -70.04 -38.09 75.76 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.494 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -59.04 -43.26 91.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.96 0.409 . . . . 0.0 110.586 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.604 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.8 mm -65.35 -46.21 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.914 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 18.9 tp60 -55.45 -48.2 74.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -63.38 -37.84 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.416 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 640' ' ' LYS . . . . . 0.499 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 26.3 tttp -73.64 -37.28 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 68.1 mt -69.55 -55.22 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p 50.51 30.01 4.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.163 0.585 . . . . 0.0 111.232 -175.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 62.42 91.85 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.655 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 85.5 mt -94.82 174.01 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.626 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 54.0 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.094 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.27 -49.85 66.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.12 -29.98 71.07 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.655 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.655 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.1 mt-10 -79.43 -34.47 41.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 645' ' ' SER . 78.1 mt-30 -66.65 -32.13 73.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.227 0.537 . . . . 0.0 110.354 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.47 57.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.47 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -73.27 -50.68 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.672 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.499 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 77.8 t80 -102.01 102.19 12.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.212 0.53 . . . . 0.0 110.132 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 12.2 ttp180 -126.16 157.3 38.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.529 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.707 HD12 HD13 ' B' ' 658' ' ' LEU . 1.9 mm? -72.05 91.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -123.08 -57.66 1.68 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -87.95 -50.32 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.9 m -56.59 -50.55 71.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.707 HD13 HD12 ' B' ' 654' ' ' LEU . 10.9 mp -94.09 74.21 4.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -167.23 -147.04 5.12 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.233 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 64.61 -136.38 38.93 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 2.8 m -92.53 -6.35 49.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.431 0.634 . . . . 0.0 110.121 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 7.4 t -93.47 2.3 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.725 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' B' ' 664' ' ' VAL . 8.5 pt-20 -63.02 -44.29 96.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 664' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' B' ' 663' ' ' GLU . 8.4 p -66.8 -33.73 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.659 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.19 -57.45 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.217 0.532 . . . . 0.0 110.641 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -70.11 -36.26 74.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.034 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 70.9 ttt180 -62.88 -52.68 62.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.491 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.5 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.057 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.607 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.37 -42.18 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.458 . . . . 0.0 110.511 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.518 HD12 HD11 ' B' ' 673' ' ' ILE . 21.7 tp -72.75 -32.14 65.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.186 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 56.7 mt-30 -68.55 -25.8 65.1 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.575 0.226 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.561 HG21 ' HG2' ' B' ' 703' ' ' LYS . 31.5 pt -100.36 -38.23 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.314 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.499 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 32.0 m-85 -101.25 28.2 5.59 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.34 -34.73 2.07 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.97 -36.19 64.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -136.91 34.5 2.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 111.078 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.19 86.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.84 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -79.68 -47.6 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.796 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.75 -40.22 87.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.582 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.36 -40.03 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.11 -39.62 90.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.315 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.0 92.7 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.195 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.575 HD21 HG11 ' B' ' 696' ' ' VAL . 95.2 mt -62.56 -38.21 89.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.6 177.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.515 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 13.8 tpt180 -81.62 13.6 3.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.925 -175.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -142.9 -48.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.273 -0.267 . . . . 0.0 111.557 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -128.03 85.67 60.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.43 . . . . 0.0 110.429 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.439 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 24.7 Cg_endo -61.1 -54.1 2.07 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.712 2.274 . . . . 0.0 112.815 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 690' ' ' SER . . . . . 0.453 ' HB3' ' CD ' ' B' ' 649' ' ' GLN . 23.1 t -69.73 -2.83 12.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -172.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 62.7 mt -100.29 -56.09 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.23 40.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 50.8 t -54.36 -56.15 29.61 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.3 Cg_endo -55.31 -45.57 39.18 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.892 1.728 . . . . 0.0 112.613 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.628 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 18.4 mt -66.96 -54.84 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -177.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.575 HG11 HD21 ' B' ' 685' ' ' LEU . 3.1 p -62.5 -35.44 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.851 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 634' ' ' LEU . 53.3 tp -63.65 -41.79 98.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.528 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.14 -36.28 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.905 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 28.0 mmt180 -62.59 -46.63 87.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.509 0.671 . . . . 0.0 109.531 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.12 -29.79 68.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.382 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 697' ' ' LEU . 7.9 tptm -69.21 -45.58 69.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -70.43 -31.55 68.77 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.561 ' HG2' HG21 ' B' ' 673' ' ' ILE . 7.8 tptp -68.62 -35.99 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.93 -46.49 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.173 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.34 -33.61 75.03 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -69.43 -44.38 71.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.899 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.519 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 4.6 m0 -64.27 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.613 0.244 . . . . 0.0 110.602 176.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' B' ' 712' ' ' ARG . 20.9 mmt180 -60.0 -44.46 94.52 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.501 172.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.63 -43.57 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.65 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.698 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.18 -39.56 93.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.645 ' O ' HG23 ' B' ' 717' ' ' VAL . 67.0 mtt180 -61.97 -46.85 87.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.544 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.58 78.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.227 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -89.1 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -67.31 -52.72 37.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.957 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 64.9 tttp -64.21 -53.23 52.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 712' ' ' ARG . 84.2 t -61.11 -36.64 73.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.375 -177.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.71 -42.07 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' B' ' 724' ' ' LYS . 11.6 mm-40 -68.8 -25.87 64.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.407 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -89.55 -33.56 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -81.35 -63.33 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -174.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.49 -15.79 55.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.61 -173.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 724' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' B' ' 720' ' ' GLU . 95.5 mttt -108.95 167.19 10.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.408 . . . . 0.0 110.664 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -93.06 85.68 5.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.547 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -74.37 158.48 33.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.77 180.0 3.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.789 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.52 15.71 25.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.402 0.62 . . . . 0.0 109.76 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.142 179.194 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.713 0.292 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -165.6 133.38 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.195 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -108.87 -34.38 6.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.315 0.579 . . . . 0.0 109.708 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -149.45 124.76 10.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.54 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -97.83 117.45 32.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.907 0.384 . . . . 0.0 110.458 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.27 78.83 8.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.286 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -97.79 -37.08 10.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.721 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 43.1 m-85 69.76 -57.92 0.54 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.901 0.751 . . . . 0.0 111.972 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 672' ' ' ARG . 45.3 mt -75.06 -172.95 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 112.054 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.43 ' HB2' HD11 ' A' ' 216' ' ' ILE . 82.0 mt -126.22 151.52 47.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.219 173.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 63.4 m -68.93 149.58 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.04 -40.99 24.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.021 0.528 . . . . 0.0 112.026 -177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -54.56 -48.11 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.72 -36.59 82.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 216' ' ' ILE . . . . . 0.43 HD11 ' HB2' ' A' ' 211' ' ' LEU . 44.1 mm -62.15 -56.92 14.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 26.4 tpp -66.62 -30.48 70.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.482 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.49 -46.06 80.68 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.978 174.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.657 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 2.2 t70 -59.35 -53.46 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.496 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.82 -50.12 61.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.665 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.02 -36.04 83.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 74.3 m -71.32 -35.3 71.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.846 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.6 mt -61.4 -36.32 79.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.284 0.564 . . . . 0.0 110.592 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -74.45 -32.17 62.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.821 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 225' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 227' ' ' LYS . 58.4 mtpt -90.53 -80.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.537 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.593 ' HG ' HG12 ' B' ' 691' ' ' ILE . 0.2 OUTLIER 51.64 48.04 23.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.679 0.752 . . . . 0.0 109.72 -172.277 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 227' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 225' ' ' LYS . 66.3 mttm -130.21 27.0 5.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.615 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.17 -178.462 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -69.72 132.54 46.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.016 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.1 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.734 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.3 145.82 39.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -77.49 112.48 14.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.815 0.34 . . . . 0.0 111.511 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.8 123.28 39.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 611' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' B' ' 615' ' ' ASP . 37.1 t80 -94.48 122.4 37.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.664 0.268 . . . . 0.0 110.484 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 612' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 612' ' ' ARG . 35.6 ttm180 -147.79 35.19 0.85 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 613' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 614' ' ' GLU . 99.9 m 73.53 162.85 0.26 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.443 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' B' ' 613' ' ' CYS . 7.5 mm-40 71.12 1.96 4.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.964 -170.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.806 ' HA ' ' HD2' ' B' ' 618' ' ' PHE . 21.7 m-20 -82.28 -2.82 53.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.07 -41.83 85.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.079 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -66.17 -33.72 76.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.153 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.806 ' HD2' ' HA ' ' B' ' 615' ' ' ASP . 90.1 m-85 -62.16 -40.81 97.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.24 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.18 -40.83 98.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.962 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.434 ' HA ' HG12 ' B' ' 623' ' ' VAL . 92.7 mt -60.73 -45.43 94.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.989 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -65.07 -38.58 91.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.89 -46.7 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.209 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.6 p -68.1 -37.01 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.993 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -67.28 -40.98 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 177.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.518 HG22 ' HB2' ' B' ' 669' ' ' ALA . 15.6 m -63.63 -33.3 75.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.4 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.567 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -60.36 -56.41 21.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 175.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 628' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.86 -40.73 85.17 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.415 0.447 . . . . 0.0 110.529 -178.02 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.21 90.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.222 0.534 . . . . 0.0 110.723 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.491 HG22 HD23 ' B' ' 634' ' ' LEU . 28.3 m -70.29 -34.29 72.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.376 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.567 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.6 mm -58.04 -48.2 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 632' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 63.0 mtt180 -55.26 -54.76 39.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.226 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.5 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.1 p -66.05 -38.12 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.345 -177.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 0.956 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.3 mm? -63.84 -47.85 79.13 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.527 -0.108 . . . . 0.0 111.245 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -59.14 -37.34 77.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.19 66.73 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.5 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.9 mm -63.31 -46.78 94.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.64 -42.43 78.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.264 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -71.45 -40.07 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 640' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 40.7 tttm -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 70.2 mt -73.83 -70.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.768 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.4 m 50.28 40.92 23.54 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.029 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 61.51 92.24 0.05 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.321 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.767 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.3 mt -91.2 154.2 19.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.08 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 7.7 m -67.77 168.57 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -49.92 -53.16 27.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.139 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.767 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 46.2 mt-10 -71.21 -42.23 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -176.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' B' ' 689' ' ' PRO . 11.8 pt20 -79.28 -21.91 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.79 58.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.636 170.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.73 -51.89 11.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.981 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 652' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 58.6 t80 -102.23 98.51 8.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.614 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.4 ttp180 -116.14 148.84 39.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.447 -177.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 654' ' ' LEU . . . . . 0.469 HD23 HD21 ' B' ' 658' ' ' LEU . 6.6 mp -78.66 141.16 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.964 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 655' ' ' ASP . . . . . 0.432 ' H ' HG22 ' B' ' 657' ' ' THR . 44.3 t0 -172.99 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -94.22 -9.65 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 657' ' ' THR . . . . . 0.432 HG22 ' H ' ' B' ' 655' ' ' ASP . 8.8 t -70.52 -3.57 18.58 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.787 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.469 HD21 HD23 ' B' ' 654' ' ' LEU . 97.6 mt -89.68 2.96 54.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.588 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' B' ' 663' ' ' GLU . . . 126.93 126.06 2.88 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.061 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -64.43 -35.7 92.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.399 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 13.7 t -128.77 -18.21 3.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.415 0.626 . . . . 0.0 109.51 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 662' ' ' SER . . . . . 0.422 ' HB3' HD11 ' B' ' 665' ' ' ILE . 6.6 m -84.19 9.14 13.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.972 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' B' ' 659' ' ' GLY . 11.7 pt-20 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.668 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.0 -41.91 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.832 -174.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' B' ' 662' ' ' SER . 19.3 pt -66.12 -45.36 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.477 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.03 -45.8 76.39 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.945 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.821 ' HG3' HG12 ' B' ' 682' ' ' ILE . 43.6 ttm180 -58.92 -51.58 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.312 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 668' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' B' ' 672' ' ' ARG . 27.5 ttpt -62.4 -36.25 81.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.421 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 669' ' ' ALA . . . . . 0.518 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.86 -43.44 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.829 0.347 . . . . 0.0 110.438 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 24.7 tp -71.9 -27.34 62.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.341 0.591 . . . . 0.0 110.265 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.708 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 93.0 mt-30 -72.82 -23.87 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.493 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.554 ' O ' HD23 ' A' ' 210' ' ' LEU . 52.9 mtp180 -73.41 -6.65 47.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.621 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.752 HG21 ' HG3' ' B' ' 703' ' ' LYS . 35.0 pt -115.63 -35.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.646 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.74 32.19 4.03 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.683 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.89 -58.49 0.52 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -63.48 -42.62 98.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' B' ' 677' ' ' LYS . 64.9 mmtt -109.53 31.05 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 0.0 111.294 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 678' ' ' ALA . . . . . 0.708 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -56.94 -35.39 69.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.535 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.77 83.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.23 -41.24 67.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 681' ' ' ILE . . . . . 0.404 HG12 ' O ' ' B' ' 677' ' ' LYS . 44.6 mm -63.87 -46.49 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.938 0.399 . . . . 0.0 110.712 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 682' ' ' ILE . . . . . 0.821 HG12 ' HG3' ' B' ' 667' ' ' ARG . 1.8 mp -66.02 -36.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.059 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.71 -41.7 98.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 175.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.39 -37.88 95.52 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.505 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.86 HD21 HG21 ' B' ' 696' ' ' VAL . 93.8 mt -59.71 -38.03 80.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.442 0.639 . . . . 0.0 110.713 175.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.572 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 37.4 mtp-105 -88.77 18.57 4.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.548 -176.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 687' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 32.7 ttmt -140.18 -57.7 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 -175.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 688' ' ' ASN . . . . . 0.44 HD22 HD12 ' B' ' 691' ' ' ILE . 8.0 m-20 -121.15 80.18 35.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.353 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' B' ' 649' ' ' GLN . 56.6 Cg_endo -71.11 -36.13 7.79 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.65 2.233 . . . . 0.0 113.075 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 33.6 m -73.36 -0.95 16.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.593 HG12 ' HG ' ' A' ' 226' ' ' LEU . 81.0 mt -117.3 -57.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.455 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -72.55 -45.61 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -173.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' B' ' 696' ' ' VAL . 74.7 t -54.35 -50.51 84.57 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -174.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 80.8 Cg_exo -51.77 -45.54 37.61 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.623 1.549 . . . . 0.0 112.545 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 223' ' ' LEU . 19.4 mt -70.33 -48.68 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.86 HG21 HD21 ' B' ' 685' ' ' LEU . 27.2 m -66.16 -41.24 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 0.956 HD13 ' HB3' ' B' ' 634' ' ' LEU . 33.2 tp -66.59 -37.17 84.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.43 . . . . 0.0 110.039 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 698' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 694' ' ' PRO . 34.8 ttmt -68.21 -43.31 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -67.52 -36.37 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.621 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.88 -34.89 78.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.525 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 2.1 tptm -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.011 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.7 ttp -64.05 -40.36 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.261 0.553 . . . . 0.0 109.574 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.752 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.0 mmtt -70.56 -32.65 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.038 176.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 30.8 tt0 -53.56 -50.36 65.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 172.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 705' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 25.4 mm-40 -55.61 -53.67 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.968 175.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.26 -52.62 62.81 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.642 0.589 . . . . 0.0 111.393 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.721 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 11.0 m0 -67.78 -35.0 77.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.537 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 708' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -64.46 -50.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.423 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 709' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.3 pt-20 -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.747 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.13 75.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 0.0 110.309 174.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -66.58 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.322 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.666 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 28.5 ttm180 -67.52 -41.55 84.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -71.76 -40.15 58.76 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.839 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -88.78 -64.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -76.16 -49.62 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.666 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER -58.77 -48.42 81.3 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -176.215 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.646 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 73.8 t -61.05 -45.67 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.665 176.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -55.52 -45.72 77.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.818 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.64 -35.32 80.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.672 0.273 . . . . 0.0 111.024 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 7.6 mm-40 -63.47 -50.13 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 721' ' ' GLN . . . . . 0.646 ' HG3' ' O ' ' B' ' 717' ' ' VAL . 27.8 mt-30 -69.74 -20.74 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -81.18 -66.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.968 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.32 -43.54 64.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.512 -175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 724' ' ' LYS . . . . . 0.811 ' HG2' ' HG ' ' B' ' 727' ' ' LEU . 45.9 tptt -89.03 101.85 14.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.413 0.625 . . . . 0.0 110.556 -175.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.49 -20.23 60.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.47 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -95.88 14.69 22.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -175.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 727' ' ' LEU . . . . . 0.811 ' HG ' ' HG2' ' B' ' 724' ' ' LYS . 30.2 mt -101.53 7.21 42.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.519 0.676 . . . . 0.0 109.67 170.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -101.69 133.16 46.83 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.473 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.591 -179.763 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.903 0.383 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -115.69 -37.15 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.707 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.63 92.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.52 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 127.01 21.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.13 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -78.55 102.27 7.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.308 0.575 . . . . 0.0 109.649 176.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.63 102.67 12.37 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.844 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -79.71 89.48 5.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.93 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.665 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 51.0 m-85 -68.13 -45.18 74.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.492 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 210' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 42.2 tp -68.08 160.17 29.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.173 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.464 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 71.8 mt -99.29 137.7 37.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 7.6 p -62.36 142.59 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.934 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.64 -33.0 44.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.949 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -54.55 -48.56 71.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.61 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -71.62 -34.47 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.736 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.0 -52.23 60.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 110.499 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 217' ' ' MET . . . . . 0.507 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 0.8 OUTLIER -65.08 -36.87 85.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.719 178.429 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.65 -44.35 96.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.414 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 219' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 51.0 m-20 -62.99 -43.85 97.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 220' ' ' LEU . . . . . 0.722 HD11 ' HG2' ' B' ' 677' ' ' LYS . 41.2 mt -60.03 -39.25 85.24 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.248 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 221' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 217' ' ' MET . 87.5 mtt180 -60.35 -47.65 85.16 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.487 0.661 . . . . 0.0 109.916 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 222' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 226' ' ' LEU . 22.4 m -65.51 -29.19 69.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.481 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 223' ' ' LEU . . . . . 0.58 HD23 HD12 ' B' ' 695' ' ' ILE . 94.2 mt -66.38 -15.06 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.823 0.344 . . . . 0.0 111.424 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -112.35 -55.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.239 0.542 . . . . 0.0 110.228 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -94.86 20.4 8.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.552 -173.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 226' ' ' LEU . . . . . 0.456 HD22 HG23 ' B' ' 691' ' ' ILE . 67.7 tp -39.42 107.07 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.575 0.547 . . . . 0.0 111.541 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -132.24 64.05 1.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.681 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.925 -179.439 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.569 0.223 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -86.58 97.59 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 0.0 110.697 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -99.03 -10.59 22.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.04 157.1 34.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.843 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -87.23 97.97 11.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.224 0.535 . . . . 0.0 111.683 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.51 97.33 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.268 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -99.54 134.09 42.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.328 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -128.42 -176.43 3.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.247 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 88.6 m -101.68 153.32 19.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 170.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 614' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' B' ' 615' ' ' ASP . 52.5 mm-40 -83.03 -160.73 0.43 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.189 0.518 . . . . 0.0 110.236 173.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 615' ' ' ASP . . . . . 0.994 ' HA ' ' HD2' ' B' ' 618' ' ' PHE . 6.6 p-10 -78.75 19.67 0.5 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.02 -174.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.58 -48.82 71.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 617' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' B' ' 617' ' ' ARG . 9.8 ttt180 -61.66 -33.18 73.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.826 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 618' ' ' PHE . . . . . 0.994 ' HD2' ' HA ' ' B' ' 615' ' ' ASP . 83.3 m-85 -64.25 -39.07 93.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.036 -175.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -70.78 -39.11 73.36 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.624 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 620' ' ' LEU . . . . . 0.52 ' HA ' HG12 ' B' ' 623' ' ' VAL . 97.0 mt -62.41 -46.3 89.21 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.071 0.462 . . . . 0.0 110.712 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.03 -46.54 85.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.729 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.15 -51.04 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.787 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 623' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.5 p -62.74 -38.06 80.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.084 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 624' ' ' LEU . . . . . 0.492 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 1.9 mm? -66.59 -42.09 87.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.738 0.304 . . . . 0.0 110.611 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.39 -48.74 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 626' ' ' THR . . . . . 0.662 HG23 ' HB ' ' B' ' 665' ' ' ILE . 26.8 m -60.23 -39.36 86.43 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.292 0.568 . . . . 0.0 110.315 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 627' ' ' ASN . . . . . 0.5 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.8 t-20 -60.15 -57.73 11.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.407 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.6 -30.95 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.42 75.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 630' ' ' THR . . . . . 0.504 HG22 HD23 ' B' ' 634' ' ' LEU . 28.5 m -67.12 -38.13 85.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 178.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 631' ' ' ILE . . . . . 0.56 HD12 ' HD2' ' B' ' 701' ' ' LYS . 32.1 mm -55.41 -55.12 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -63.1 -40.85 98.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.703 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 633' ' ' VAL . . . . . 0.623 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.9 p -69.92 -37.08 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.524 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 634' ' ' LEU . . . . . 1.026 ' HB3' HD13 ' B' ' 697' ' ' LEU . 1.4 mm? -62.0 -50.07 73.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.636 0.255 . . . . 0.0 110.857 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 635' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 46.0 mt-10 -58.2 -42.4 86.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.94 87.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 637' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 633' ' ' VAL . 43.9 mm -61.35 -45.66 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.934 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -59.95 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.78 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 639' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 68.3 mttm -66.28 -46.7 76.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 178.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -66.54 -28.48 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 641' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 86.8 mt -75.22 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 60.41 26.63 16.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.092 -174.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 61.38 89.08 0.08 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.298 -174.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 644' ' ' LEU . . . . . 0.742 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 94.9 mt -85.83 162.04 18.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.142 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 2.0 m -80.39 173.96 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.947 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -54.58 -48.76 71.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.79 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.766 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 648' ' ' GLU . . . . . 0.742 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.0 mt-10 -75.31 -28.7 59.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.698 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 649' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.6 mt-30 -71.49 -31.73 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.265 174.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.84 58.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -75.18 -59.54 2.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.434 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -110.02 99.97 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 653' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 43.7 ttm180 -120.49 158.6 26.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.478 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 52.5 mt -80.82 133.5 35.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -162.58 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.77 173.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -81.01 -12.71 59.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.723 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 657' ' ' THR . . . . . 0.605 ' HB ' HD12 ' B' ' 658' ' ' LEU . 0.0 OUTLIER -55.79 -45.36 78.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.578 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.605 HD12 ' HB ' ' B' ' 657' ' ' THR . 4.9 mp -113.53 -9.86 13.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 659' ' ' GLY . . . . . 0.988 ' HA2' ' HG2' ' B' ' 663' ' ' GLU . . . -85.27 -176.09 50.56 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.068 -174.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.86 -142.36 15.56 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.52 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 1.9 m -72.02 -25.7 61.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.204 0.526 . . . . 0.0 110.658 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m -91.77 2.25 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.706 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 663' ' ' GLU . . . . . 0.988 ' HG2' ' HA2' ' B' ' 659' ' ' GLY . 0.5 OUTLIER -65.98 -39.24 90.17 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.619 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.21 -40.74 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.997 -175.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 665' ' ' ILE . . . . . 0.662 ' HB ' HG23 ' B' ' 626' ' ' THR . 37.4 pt -71.6 -35.45 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.935 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -72.8 -44.56 61.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 667' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 4.7 tpp180 -59.12 -54.43 47.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.589 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -62.11 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.442 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.23 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.569 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 670' ' ' LEU . . . . . 0.65 HD12 HD11 ' B' ' 673' ' ' ILE . 13.6 tp -72.76 -28.98 62.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.136 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 671' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 50.0 mt-30 -75.9 -24.81 55.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.305 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 672' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 64.1 mtp180 -76.46 -10.96 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.001 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.65 HD11 HD12 ' B' ' 670' ' ' LEU . 21.4 pt -114.32 -37.28 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.594 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 674' ' ' TYR . . . . . 0.42 ' CD2' HG13 ' B' ' 673' ' ' ILE . 80.2 m-85 -108.13 33.26 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.461 -0.149 . . . . 0.0 110.64 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.12 -52.21 0.77 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.66 -7.29 58.44 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -171.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 677' ' ' LYS . . . . . 0.722 ' HG2' HD11 ' A' ' 220' ' ' LEU . 20.3 tptt -150.78 37.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 110.721 -173.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -76.27 -38.66 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.988 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.86 76.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.194 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.39 -23.72 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 42.1 mm -79.81 -44.59 23.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.35 -41.25 86.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.36 -41.31 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.661 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.23 52.77 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.513 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 685' ' ' LEU . . . . . 0.697 HD21 HG11 ' B' ' 696' ' ' VAL . 94.4 mt -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 111.62 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 686' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 10.5 mpt_? -86.67 17.9 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -177.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -138.2 -50.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.672 0.272 . . . . 0.0 111.133 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -126.71 79.62 71.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.551 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 689' ' ' PRO . . . . . 0.489 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 53.9 Cg_endo -69.44 -19.29 37.86 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.572 2.181 . . . . 0.0 112.9 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 21.5 t -76.3 -17.71 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.2 0.524 . . . . 0.0 109.763 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 691' ' ' ILE . . . . . 0.456 HG23 HD22 ' A' ' 226' ' ' LEU . 45.9 mt -104.25 -63.18 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.063 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 692' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -66.65 -43.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 693' ' ' VAL . . . . . 0.696 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 81.0 t -55.77 -57.18 22.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 119.299 -0.381 . . . . 0.0 111.586 -176.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 694' ' ' PRO . . . . . 0.696 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 84.8 Cg_exo -49.88 -50.4 13.35 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.441 2.094 . . . . 0.0 113.089 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 695' ' ' ILE . . . . . 0.58 HD12 HD23 ' A' ' 223' ' ' LEU . 47.9 mt -62.86 -57.31 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 696' ' ' VAL . . . . . 0.697 HG11 HD21 ' B' ' 685' ' ' LEU . 1.4 p -63.32 -34.79 69.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.584 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 697' ' ' LEU . . . . . 1.026 HD13 ' HB3' ' B' ' 634' ' ' LEU . 37.0 tp -62.29 -47.98 81.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -60.03 -43.14 95.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.71 0.291 . . . . 0.0 111.115 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 699' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' B' ' 702' ' ' MET . 21.5 tpp180 -61.69 -40.75 96.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 109.924 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 700' ' ' LEU . . . . . 0.527 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.8 tp -71.41 -35.96 71.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.69 -178.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 701' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 32.3 mmmt -67.72 -41.12 84.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.299 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 702' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -70.41 -32.45 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.022 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 703' ' ' LYS . . . . . 0.437 ' HD3' HD21 ' A' ' 211' ' ' LEU . 7.4 tptm -72.48 -36.22 68.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 704' ' ' GLU . . . . . 0.443 ' OE1' HG21 ' B' ' 631' ' ' ILE . 4.2 tt0 -54.47 -52.52 61.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.261 0.553 . . . . 0.0 110.213 173.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.05 -46.31 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.89 -45.75 92.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 707' ' ' TRP . . . . . 0.665 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 3.6 m0 -62.62 -44.78 95.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.335 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -61.93 -41.08 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.866 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -63.39 -39.13 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.28 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.382 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 711' ' ' GLN . . . . . 0.492 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 1.1 tt0 -60.35 -39.78 88.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.066 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 712' ' ' ARG . . . . . 0.52 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 23.7 ttm180 -63.64 -49.18 74.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.459 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.49 98.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.941 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -87.21 -65.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.738 0.304 . . . . 0.0 111.608 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 715' ' ' ASN . . . . . 0.403 ' ND2' ' HG3' ' B' ' 617' ' ' ARG . 11.0 m120 -78.06 -51.54 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.067 -167.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 716' ' ' LYS . . . . . 0.52 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 14.2 tmtt? -59.79 -49.32 78.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.472 -175.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 717' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 712' ' ' ARG . 69.5 t -63.64 -50.11 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -53.17 -42.81 66.55 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.092 0.472 . . . . 0.0 110.248 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -61.4 -54.52 42.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.112 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 720' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' B' ' 724' ' ' LYS . 19.7 pt-20 -74.41 -14.36 60.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -87.94 -42.24 12.61 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.33 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -82.27 -59.32 2.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 111.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.25 -49.2 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.254 0.55 . . . . 0.0 110.773 -175.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 724' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' B' ' 720' ' ' GLU . 87.1 tttt -88.81 136.58 32.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.011 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -111.56 87.05 2.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.131 0.491 . . . . 0.0 110.145 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -127.25 107.87 10.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.2 mt -92.42 105.62 17.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.268 0.556 . . . . 0.0 110.486 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -96.25 -65.27 0.98 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.321 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.264 176.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.228 0.537 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -104.57 114.19 28.25 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.365 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.07 -46.49 4.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.892 0.377 . . . . 0.0 110.744 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 67.2 tp -84.25 134.76 34.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.571 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.97 151.61 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.4 p -72.96 157.95 36.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.081 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.76 -24.37 65.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.878 0.371 . . . . 0.0 110.421 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.72 -55.04 39.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.321 0.581 . . . . 0.0 110.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.17 -44.48 83.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.976 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.653 HG12 ' HD1' ' B' ' 674' ' ' TYR . 67.4 mt -60.29 -51.7 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.492 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 48.2 ttm -65.08 -37.09 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.831 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.5 -42.39 92.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 3.1 t70 -59.34 -51.32 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.512 HD21 ' HD2' ' B' ' 677' ' ' LYS . 11.1 mp -56.87 -45.16 82.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.687 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 217' ' ' MET . 63.7 mtp180 -56.6 -46.39 80.9 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.928 0.394 . . . . 0.0 110.231 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -45.31 81.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.256 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 96.7 mt -56.38 -47.53 78.75 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 111.912 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.723 -173.848 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.526 0.679 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.11 -42.39 98.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.588 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -56.72 -46.01 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.41 ' O ' HG12 ' B' ' 623' ' ' VAL . 13.0 tp10 -60.47 -46.91 88.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.579 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.5 ' HA ' HG12 ' B' ' 623' ' ' VAL . 4.4 mm? -71.92 -46.02 59.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 111.307 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.46 -46.14 80.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.853 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.2 t -71.0 -47.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.711 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' B' ' 620' ' ' LEU . 12.8 p -66.11 -35.14 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.413 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 2.9 mm? -69.88 -42.84 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.597 0.237 . . . . 0.0 110.66 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.66 -44.57 96.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.134 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.512 HG22 ' HB2' ' B' ' 669' ' ' ALA . 64.2 m -60.74 -42.62 97.71 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.206 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.555 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.72 -56.15 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.401 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.28 -40.94 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.511 0.507 . . . . 0.0 112.038 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.254 0.549 . . . . 0.0 110.646 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.505 ' HA ' HG12 ' B' ' 633' ' ' VAL . 30.9 m -73.31 -33.82 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 627' ' ' ASN . 40.8 mm -58.68 -49.87 81.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 109.915 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -57.36 -55.28 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' B' ' 630' ' ' THR . 8.8 p -64.27 -40.58 89.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.477 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.0 mt -69.48 -44.04 71.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.24 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.425 ' CD ' HD21 ' B' ' 697' ' ' LEU . 7.9 mm-40 -61.93 -34.37 75.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.789 0.328 . . . . 0.0 110.772 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.97 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 36.5 mm -64.29 -45.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . 0.557 ' HA ' HD12 ' B' ' 641' ' ' LEU . 0.9 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.658 -178.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -39.6 76.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.918 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.77 -28.84 67.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' B' ' 638' ' ' GLN . 96.6 mt -68.03 -60.06 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 42.3 p 48.2 36.55 6.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.108 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 66.41 91.23 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.78 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.9 mt -96.44 160.76 14.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.138 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.0 m -73.77 172.16 12.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.74 80.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.1 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 47.0 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.61 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.528 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 50.5 mt-30 -74.65 -22.72 58.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.188 0.518 . . . . 0.0 109.993 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.15 -43.31 29.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.934 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.26 -62.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.584 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.84 95.77 8.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 40.9 ttm180 -133.58 154.78 50.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.768 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.31 82.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.121 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -90.96 -51.36 5.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.814 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -116.53 -1.43 12.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.542 0.686 . . . . 0.0 109.255 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 0.7 OUTLIER -79.63 137.72 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.539 -176.281 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 657' ' ' THR . 9.7 mp . . . . . 0 N--CA 1.467 0.388 0 O-C-N 123.788 0.68 . . . . 0.0 110.709 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.7 p . . . . . 0 C--O 1.237 0.401 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.96 -39.12 90.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.904 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.08 -33.38 42.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.437 HG23 HG23 ' B' ' 626' ' ' THR . 54.6 mt -61.88 -50.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.249 0.547 . . . . 0.0 110.755 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -79.21 -34.61 42.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.663 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 44.0 ttt180 -62.46 -49.63 74.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.213 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.39 -45.57 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.912 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.512 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.613 HD12 HD11 ' B' ' 673' ' ' ILE . 11.5 tp -75.47 -35.36 60.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.36 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 51.7 mt-30 -68.98 -23.54 64.13 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -73.0 -35.21 66.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.116 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.613 HD11 HD12 ' B' ' 670' ' ' LEU . 25.2 pt -92.97 -36.21 7.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.671 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.653 ' HD1' HG12 ' A' ' 216' ' ' ILE . 27.5 m-85 -116.53 40.07 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.982 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.12 -54.93 0.5 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.46 -34.35 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.512 ' HD2' HD21 ' A' ' 220' ' ' LEU . 71.7 mmtt -116.46 29.07 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.54 -172.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.94 90.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.19 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.66 -38.38 90.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 677' ' ' LYS . 30.8 mm -75.79 -41.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.354 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' B' ' 686' ' ' ARG . 31.1 mm -59.08 -46.18 92.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.52 -41.62 85.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.692 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.16 96.56 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.106 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.671 HD21 HG21 ' B' ' 696' ' ' VAL . 88.8 mt -67.31 -32.32 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.111 0.481 . . . . 0.0 110.881 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.459 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 13.6 mmm180 -87.81 11.41 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.98 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' B' ' 687' ' ' LYS . 33.6 ttpt -137.76 -62.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.933 0.396 . . . . 0.0 111.196 -172.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -123.16 84.21 51.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.226 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 44.4 Cg_endo -67.0 -41.2 10.32 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.32 2.013 . . . . 0.0 112.752 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 70.7 m -75.57 -5.26 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.157 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 42.5 mt -101.45 -60.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.342 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -72.52 -50.42 25.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.557 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 73.6 t -52.35 -51.94 67.7 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 58.8 Cg_exo -53.71 -42.94 62.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.762 1.641 . . . . 0.0 112.52 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.61 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 36.7 mt -70.97 -55.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.671 HG21 HD21 ' B' ' 685' ' ' LEU . 31.4 m -58.74 -37.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' B' ' 701' ' ' LYS . 49.7 tp -64.87 -43.82 91.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.635 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -63.14 -38.74 92.39 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.603 0.239 . . . . 0.0 111.006 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 29.2 mmt180 -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.648 0.737 . . . . 0.0 109.143 174.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.08 -33.27 71.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.614 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 2.8 mmmp? -73.04 -41.17 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.136 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 699' ' ' ARG . 25.1 ptt? -66.33 -37.0 84.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' B' ' 703' ' ' LYS . 37.5 tptt -71.02 -33.96 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.621 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 24.9 tt0 -56.48 -51.44 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.663 175.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.3 tt0 -63.79 -38.06 89.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.95 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.17 -43.03 93.04 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.833 0.349 . . . . 0.0 110.755 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -63.82 -38.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 0.3 OUTLIER -60.69 -41.05 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 176.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.6 mm-40 -58.83 -44.49 90.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.984 0.421 . . . . 0.0 110.431 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.77 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.512 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 31.0 tt0 -64.3 -32.98 74.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.326 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.619 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 33.0 mmt180 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.411 . . . . 0.0 110.094 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -69.89 -47.79 45.14 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.048 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.54 -65.0 1.06 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.512 ' HB2' ' HG2' ' B' ' 711' ' ' GLN . 4.4 m120 -67.76 -47.17 69.95 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.619 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 8.2 tmtt? . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.631 -174.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.6 mt . . . . . 0 N--CA 1.445 -0.682 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -84.9 -16.83 39.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.649 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 79.2 m-85 69.39 11.89 8.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.463 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 74.7 mt -110.2 174.94 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 18.2 tp -113.21 151.31 31.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.7 p -66.06 133.28 50.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.962 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.462 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.31 -48.86 80.04 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.38 -41.96 88.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 84.5 mt -55.48 -52.03 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.29 0.566 . . . . 0.0 110.517 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.28 -30.93 71.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.611 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . 0.584 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 34.6 tt0 -65.66 -41.27 92.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.128 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 82.0 m-20 -64.28 -46.13 85.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.51 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 223' ' ' LEU . 6.2 mp -55.12 -48.69 73.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 110.886 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.584 ' HE ' ' HA ' ' A' ' 218' ' ' GLU . 63.4 mtm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.3 m -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.389 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 87.7 mt -60.05 -23.07 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . 0.515 HD22 ' N ' ' A' ' 224' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.173 -177.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 7.1 tp10 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -42.92 83.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.273 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG23 ' B' ' 622' ' ' VAL . 86.5 t80 -57.86 -43.82 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.376 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.68 -30.7 69.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.652 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 65.3 mt -60.62 -48.82 80.08 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.688 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.88 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.045 0.45 . . . . 0.0 110.343 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 618' ' ' PHE . 69.0 t -62.87 -51.18 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.771 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.476 HG13 HD22 ' B' ' 624' ' ' LEU . 14.1 p -64.02 -39.58 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.5 HD12 ' NE ' ' B' ' 708' ' ' ARG . 2.2 mm? -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.683 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.05 -41.66 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.261 0.553 . . . . 0.0 110.464 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.696 HG23 ' HB ' ' B' ' 665' ' ' ILE . 77.2 m -67.17 -46.08 75.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.194 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.514 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.0 t30 -66.52 -45.48 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.605 ' HB2' HH21 ' B' ' 708' ' ' ARG . 2.8 tm? -60.26 -40.44 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.35 84.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.336 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.547 HG22 HD23 ' B' ' 634' ' ' LEU . 18.9 m -68.97 -38.51 79.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.47 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.522 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 46.1 mm -53.52 -53.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.351 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -64.51 -39.05 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.172 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.582 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.4 p -72.2 -35.39 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.554 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.801 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.7 mm? -65.3 -43.46 91.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.449 0.166 . . . . 0.0 110.753 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 631' ' ' ILE . 45.5 mt-10 -58.78 -38.41 78.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.188 0.518 . . . . 0.0 110.147 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.66 -41.07 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.576 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.3 mm -64.67 -46.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.123 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.29 -39.89 73.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.633 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' B' ' 639' ' ' LYS . 53.3 mmtt -67.23 -46.57 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.368 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -67.27 -30.66 70.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.19 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 92.9 mt -68.43 -43.14 77.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.768 176.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 56.25 19.71 4.09 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.697 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 48.59 54.59 10.32 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.402 0.62 . . . . 0.0 111.761 -172.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' B' ' 641' ' ' LEU . 51.1 mt -65.15 175.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.051 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 10.6 t -77.79 172.17 13.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.56 79.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -65.44 -31.02 71.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.371 0.605 . . . . 0.0 109.737 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 43.5 mt-10 -78.53 -31.9 47.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.851 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.54 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 79.7 mm-40 -67.85 -30.71 70.15 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.241 0.544 . . . . 0.0 110.175 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.23 -33.52 61.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.3 -59.42 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -90.85 90.83 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.8 ttp180 -111.55 149.38 31.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.474 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.785 HD23 HD21 ' B' ' 658' ' ' LEU . 5.5 mp -75.75 60.29 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.263 0.554 . . . . 0.0 109.986 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.32 -59.39 2.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.959 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -131.73 23.84 4.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.112 0.958 . . . . 0.0 108.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 -14.4 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.9 -172.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.785 HD21 HD23 ' B' ' 654' ' ' LEU . 85.0 mt . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.853 0.358 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' B' ' 667' ' ' ARG . 42.6 tt0 -77.02 -23.34 52.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.714 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.07 -46.3 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.696 ' HB ' HG23 ' B' ' 626' ' ' THR . 18.9 pt -71.32 -41.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.631 0.253 . . . . 0.0 111.461 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . 0.424 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.6 m170 -68.96 -47.12 66.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.766 0.793 . . . . 0.0 109.801 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.536 ' HB2' ' HG2' ' B' ' 663' ' ' GLU . 21.1 ttt180 -65.64 -36.44 83.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.531 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.56 -47.1 67.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 110.675 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.501 HD11 HG22 ' B' ' 696' ' ' VAL . 18.6 tp -66.97 -37.06 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.446 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 40.9 mt-30 -72.22 -24.17 61.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.83 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.424 ' HE ' ' HB3' ' A' ' 209' ' ' TYR . 31.5 ttt180 -68.09 -46.52 70.75 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.334 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.733 HG21 ' HG2' ' B' ' 703' ' ' LYS . 27.3 pt -75.77 -38.6 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.221 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.493 ' CD1' HG13 ' B' ' 681' ' ' ILE . 63.0 m-85 -92.73 27.89 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.812 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.94 2.03 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.593 0.961 . . . . 0.0 113.593 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.37 -38.71 65.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.59 45.99 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.967 -170.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.446 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -71.91 -26.45 62.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.237 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.07 66.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.794 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.69 -34.67 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.127 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.493 HG13 ' CD1' ' B' ' 674' ' ' TYR . 23.0 mm -70.38 -45.88 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.501 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.439 HD13 HD23 ' B' ' 670' ' ' LEU . 46.6 mm -58.54 -40.4 78.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.49 -36.51 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.751 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.23 -37.39 91.75 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.384 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.525 HD21 HG11 ' B' ' 696' ' ' VAL . 92.3 mt -57.51 -30.71 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.627 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 10.9 mpt_? -86.69 -12.94 46.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.676 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.83 -44.69 5.7 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.836 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -148.49 94.14 4.22 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 110.269 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.588 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 42.7 Cg_endo -69.2 -21.0 36.71 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.859 2.373 . . . . 0.0 112.514 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 16.2 t -69.56 -27.12 64.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.262 0.553 . . . . 0.0 110.026 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' A' ' 223' ' ' LEU . 57.2 mt -93.53 -63.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.936 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.04 89.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.678 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 83.4 t -56.2 -57.19 24.09 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.4 Cg_exo -56.02 -43.43 56.79 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.949 1.766 . . . . 0.0 112.542 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.09 -55.41 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.177 0.513 . . . . 0.0 110.686 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.525 HG11 HD21 ' B' ' 685' ' ' LEU . 1.5 p -65.93 -34.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.704 -173.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' B' ' 634' ' ' LEU . 39.9 tp -69.12 -36.46 77.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.507 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -72.03 -38.56 69.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -62.77 -42.08 99.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.355 0.598 . . . . 0.0 109.577 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.522 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 23.1 tp -67.25 -35.23 79.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.84 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -47.57 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.948 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 45.2 ttp -59.01 -43.72 91.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.705 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.733 ' HG2' HG21 ' B' ' 673' ' ' ILE . 39.7 tptt -69.96 -37.09 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.427 -178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -55.85 -51.58 67.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.882 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 45.1 mt-10 -59.77 -43.11 94.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.95 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.88 -52.25 66.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.974 0.416 . . . . 0.0 110.314 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.649 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 1.9 m0 -63.18 -34.72 78.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.367 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.605 HH21 ' HB2' ' B' ' 628' ' ' LEU . 30.6 mmt180 -68.56 -33.11 73.51 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.132 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 45.2 mt-10 -81.28 -30.0 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.681 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.24 69.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.616 ' HG3' ' HB3' ' B' ' 715' ' ' ASN . 58.1 tt0 -62.14 -39.24 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.62 174.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 77.2 ttt180 -50.82 -50.7 55.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.677 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -72.6 -45.44 36.09 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.421 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -89.86 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.616 ' HB3' ' HG3' ' B' ' 711' ' ' GLN . 24.8 t-20 -75.79 -49.4 18.19 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -168.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? . . . . . 0 C--N 1.325 -0.478 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -175.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 710' ' ' ALA . 76.3 mt . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 120.984 0.421 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.99 91.15 3.55 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -66.4 -26.6 67.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.626 -177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.436 HD13 ' O ' ' B' ' 672' ' ' ARG . 4.6 mm? -88.0 168.63 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.904 175.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.703 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 30.5 tp -108.35 146.88 32.33 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 22.4 m -64.8 131.68 47.46 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.848 0.356 . . . . 0.0 110.782 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.65 -43.46 84.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.845 -172.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -68.18 -39.48 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.062 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.503 HG12 HD23 ' A' ' 211' ' ' LEU . 74.2 mt -61.99 -47.79 91.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.369 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 53.2 mtt -59.9 -38.71 83.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.282 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.63 -46.66 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.248 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 81.9 m-20 -62.16 -50.11 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.472 HD21 ' HD2' ' B' ' 677' ' ' LYS . 10.7 mp -55.62 -50.5 70.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.066 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 221' ' ' ARG . 30.7 mtm180 -63.31 -29.71 70.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 61.8 m -71.48 -46.38 59.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.316 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.6 mt -55.97 -49.48 73.46 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.887 -174.585 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 . . . . . 0 CA--C 1.51 -0.569 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -75.72 -34.43 60.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.734 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 622' ' ' VAL . 75.3 t80 -63.83 -47.25 81.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.77 -31.07 71.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.043 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.515 ' HA ' HG12 ' B' ' 623' ' ' VAL . 29.9 tp -66.69 -43.93 83.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 109.961 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.19 -42.88 99.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.935 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 618' ' ' PHE . 74.8 t -63.92 -50.97 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.274 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.9 p -64.71 -34.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 C-N-CA 121.321 -0.152 . . . . 0.0 111.111 -176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' B' ' 707' ' ' TRP . 2.6 mm? -67.23 -40.12 86.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.517 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.91 -44.95 72.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.78 0.324 . . . . 0.0 110.449 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.565 HG22 ' HB2' ' B' ' 669' ' ' ALA . 89.8 m -58.15 -44.77 88.05 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.326 0.584 . . . . 0.0 110.096 175.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.43 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.8 t-20 -63.18 -54.48 36.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.922 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 2.4 mm? -53.47 -45.3 69.53 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.338 0.399 . . . . 0.0 111.365 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.48 82.72 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.737 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.485 ' HA ' HG12 ' B' ' 633' ' ' VAL . 58.4 m -70.8 -40.51 72.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.161 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.536 HD12 ' HD2' ' B' ' 701' ' ' LYS . 32.5 mm -51.77 -51.15 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 172.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.49 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 2.1 mmp_? -57.16 -50.7 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.585 -178.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' B' ' 630' ' ' THR . 9.0 p -68.5 -36.16 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.063 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.923 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.1 mm? -60.23 -51.81 67.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 177.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.46 -36.26 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' B' ' 640' ' ' LYS . . . -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.742 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 32.8 mm -69.62 -40.72 79.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.861 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . 0.488 ' C ' HE21 ' B' ' 638' ' ' GLN . 0.0 OUTLIER -61.55 -34.95 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.671 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -65.92 -44.12 86.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.052 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 636' ' ' ALA . 14.4 mmmm -62.76 -38.1 89.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.454 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.1 mt -66.68 -68.75 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.282 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.2 m 55.4 34.0 22.05 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 61.64 80.83 0.21 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.051 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.4 157.47 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.522 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 69.4 p -76.85 175.74 9.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.76 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.21 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.462 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.15 -29.8 57.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.49 -24.5 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.83 -26.34 44.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.15 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.248 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -106.35 105.59 15.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.734 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 33.9 ttm180 -134.95 159.72 40.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.635 ' HA ' ' OG1' ' B' ' 657' ' ' THR . 8.7 mp -76.18 27.74 0.12 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -172.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -83.22 -22.86 33.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 110.278 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -120.85 8.13 10.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.655 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . 0.635 ' OG1' ' HA ' ' B' ' 654' ' ' LEU . 0.1 OUTLIER -109.17 -167.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.628 -175.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.469 0.506 0 C-N-CA 124.105 0.962 . . . . 0.0 111.199 -177.781 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 14.6 p . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.003 0.43 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . 0.608 ' O ' ' HD3' ' B' ' 667' ' ' ARG . 0.5 OUTLIER -64.7 -40.4 95.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.653 -177.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.69 -37.84 54.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.715 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.61 -43.22 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.718 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -73.6 -38.11 65.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.133 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' B' ' 663' ' ' GLU . 9.6 mpt_? -61.32 -46.29 90.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.244 174.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -64.22 -39.04 93.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.24 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.565 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.79 -42.38 99.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.25 -41.9 76.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.92 -23.39 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.573 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' B' ' 672' ' ' ARG . 4.8 tpm_? -56.47 -47.26 79.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.701 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 211' ' ' LEU . 11.6 pt -104.96 -41.91 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.999 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.82 32.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.325 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.27 -59.46 0.3 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -94.18 -1.09 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.472 ' HD2' HD21 ' A' ' 220' ' ' LEU . 45.7 mmtm -129.88 21.26 5.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.3 93.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.29 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.52 -40.95 80.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.04 -48.03 76.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' B' ' 685' ' ' LEU . 93.3 mt -63.65 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.71 -42.19 88.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.972 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -66.5 -40.16 94.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.489 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.607 HD21 HG21 ' B' ' 696' ' ' VAL . 95.9 mt -59.27 -40.66 86.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.431 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 79.4 mtp180 -89.28 17.52 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.133 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -126.12 -56.24 1.45 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.886 0.374 . . . . 0.0 110.197 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.43 ' HB3' HG12 ' B' ' 691' ' ' ILE . 84.5 m-20 -132.19 92.96 27.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.094 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.35 -31.13 22.98 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.568 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 77.5 p -71.68 -16.37 62.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.248 0.547 . . . . 0.0 110.178 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' B' ' 688' ' ' ASN . 37.4 mm -98.68 -63.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.113 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -70.52 -49.11 51.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.555 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.559 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 88.6 t -54.45 -51.21 80.17 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.559 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.1 Cg_exo -54.53 -45.67 39.18 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.654 1.57 . . . . 0.0 112.027 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 75.8 mt -64.33 -52.19 58.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.607 HG21 HD21 ' B' ' 685' ' ' LEU . 29.5 m -65.03 -38.82 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.388 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' B' ' 634' ' ' LEU . 46.1 tp -61.67 -40.61 95.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 54.1 mtpt -68.65 -42.51 77.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.816 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.438 ' HE ' ' CG ' ' A' ' 219' ' ' ASP . 21.7 mmt180 -58.98 -47.52 84.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.392 0.615 . . . . 0.0 110.022 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' B' ' 631' ' ' ILE . 34.0 tp -66.12 -31.26 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.82 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.536 ' HD2' HD12 ' B' ' 631' ' ' ILE . 9.3 tptp -76.09 -40.36 53.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.173 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' B' ' 705' ' ' GLU . 0.0 OUTLIER -73.2 -31.71 64.36 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.351 0.596 . . . . 0.0 109.837 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.484 ' HG2' HG21 ' B' ' 673' ' ' ILE . 12.1 tptp -69.56 -33.83 73.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 34.7 tt0 -61.13 -42.06 97.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' B' ' 702' ' ' MET . 52.6 mt-10 -51.26 -50.15 59.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.453 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -57.63 -49.59 75.93 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.435 ' HB3' HD21 ' B' ' 624' ' ' LEU . 8.5 m0 -64.54 -30.41 71.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.546 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 26.3 mmt180 -69.18 -33.78 73.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 17.2 mm-40 -64.49 -43.62 93.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.142 0.496 . . . . 0.0 109.732 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . 0.543 ' HB2' HD21 ' A' ' 207' ' ' LEU . . . -67.12 -48.23 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.859 176.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.47 -39.91 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.026 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.618 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 22.2 tpt180 -61.38 -53.69 53.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.578 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.44 93.68 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.298 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.62 -66.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.945 0.372 . . . . 0.0 111.949 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.93 -55.24 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 111.74 -169.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.618 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 23.1 tptp . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.871 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' B' ' 710' ' ' ALA . 1.7 pt? . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -120.4 114.77 22.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.415 0.626 . . . . 0.0 111.239 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.501 ' HE2' HG11 ' B' ' 623' ' ' VAL . 96.5 m-85 -72.38 -39.98 67.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 63.3 tp -90.4 150.31 21.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.427 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.4 HD12 ' CE1' ' B' ' 674' ' ' TYR . 62.9 mt -96.62 158.65 15.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 11.1 p -73.92 162.66 28.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.889 -0.142 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.34 -48.89 36.02 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.591 0.557 . . . . 0.0 110.784 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 218' ' ' GLU . 37.4 tt0 -52.71 -40.37 62.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.38 -41.41 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.532 HG13 ' HD1' ' B' ' 674' ' ' TYR . 1.8 mp -60.15 -50.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.985 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.566 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 1.1 mpt? -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 214' ' ' GLU . 2.4 tp10 -60.77 -37.45 81.9 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.211 0.529 . . . . 0.0 110.426 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 223' ' ' LEU . 11.2 mp -60.28 -38.88 84.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.045 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 217' ' ' MET . 32.5 mmt180 -55.54 -49.26 73.12 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.281 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 35.7 m -61.88 -37.8 85.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.008 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.461 HD23 HG22 ' B' ' 691' ' ' ILE . 77.1 mt -60.17 -31.89 70.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.323 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . 0.427 HD22 ' N ' ' A' ' 224' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.354 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 5.9 tp10 . . . . . 0 C--O 1.225 -0.22 0 CA-C-O 121.279 0.561 . . . . 0.0 109.706 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -56.17 -51.88 66.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.766 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.89 -42.37 98.99 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.437 ' O ' HG12 ' B' ' 623' ' ' VAL . 11.2 tp10 -62.48 -35.01 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.239 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 42.8 mt -66.01 -43.65 87.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.752 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.03 -51.38 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.717 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.501 HG11 ' HE2' ' A' ' 209' ' ' TYR . 14.4 p -64.61 -35.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.364 -0.135 . . . . 0.0 111.208 -176.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -67.32 -41.77 84.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.691 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.59 -43.87 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.023 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.476 HG23 ' HB ' ' B' ' 665' ' ' ILE . 86.0 m -58.39 -42.17 86.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.526 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.523 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -58.39 -59.95 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.018 175.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.66 -35.75 63.87 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.656 0.598 . . . . 0.0 111.973 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . 0.637 ' HA ' HH21 ' B' ' 632' ' ' ARG . . . -58.75 -58.67 7.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.419 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' B' ' 634' ' ' LEU . 13.3 m -65.86 -29.89 70.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.982 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.658 HD13 ' HB3' ' B' ' 700' ' ' LEU . 23.8 mm -55.08 -55.68 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.061 0.458 . . . . 0.0 110.478 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.637 HH21 ' HA ' ' B' ' 629' ' ' ALA . 68.5 mtm180 -63.49 -37.24 86.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.167 -176.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 629' ' ' ALA . 16.3 t -63.98 -50.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 0.0 110.203 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.673 HD13 HG13 ' B' ' 693' ' ' VAL . 0.2 OUTLIER -62.2 -45.1 94.89 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.411 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.425 ' HG2' HD21 ' B' ' 697' ' ' LEU . 38.7 mt-10 -63.24 -38.65 92.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.713 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.44 83.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.68 HG21 HD21 ' B' ' 654' ' ' LEU . 45.2 mm -64.37 -46.32 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.59 -37.05 74.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.146 0.498 . . . . 0.0 110.647 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.98 -35.77 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.848 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.42 -25.48 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 689' ' ' PRO . 64.3 mt -75.98 -70.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 23.3 t 53.67 42.3 31.88 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.999 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 71.14 96.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.316 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 66.7 mt -109.21 155.09 21.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.972 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 13.9 m -71.32 167.83 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.68 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.06 75.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 0.0 111.539 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.39 -31.48 72.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.194 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 31.7 mt-10 -79.76 -22.26 43.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' B' ' 690' ' ' SER . 66.5 mt-30 -70.02 -32.84 71.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 172.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -77.44 -27.17 52.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.232 171.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . 0.502 ' HB3' ' HA ' ' B' ' 648' ' ' GLU . 36.1 ttmt -66.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.262 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -103.2 98.4 8.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.616 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.703 ' HG3' ' HD3' ' B' ' 689' ' ' PRO . 38.5 ttp-105 -125.66 161.07 28.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.418 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.68 HD21 HG21 ' B' ' 637' ' ' ILE . 64.5 mt -74.32 82.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.352 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.48 -62.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -144.78 9.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.071 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.9 m -66.85 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.215 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.613 HD13 HD22 ' B' ' 654' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.127 0.489 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . 0.613 ' OE2' ' HB2' ' B' ' 667' ' ' ARG . 3.5 tm-20 -85.19 -35.25 21.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -173.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.9 p -49.19 -45.07 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.476 ' HB ' HG23 ' B' ' 626' ' ' THR . 17.2 pt -62.18 -30.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.877 0.37 . . . . 0.0 111.914 -177.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . 0.489 ' CE1' HG21 ' B' ' 633' ' ' VAL . 51.8 m-70 -79.1 -47.28 16.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.613 ' HB2' ' OE2' ' B' ' 663' ' ' GLU . 11.6 ttm180 -63.29 -38.84 92.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.894 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.78 -44.41 96.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.58 -43.93 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.682 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.91 -39.4 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 48.6 mt-30 -68.83 -23.63 64.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.366 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -83.45 -31.85 26.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.662 0.267 . . . . 0.0 110.968 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.5 pt -90.46 -34.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.586 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.532 ' HD1' HG13 ' A' ' 216' ' ' ILE . 30.8 m-85 -117.78 36.11 4.44 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.879 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -34.0 -44.34 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.46 -31.74 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -139.71 36.39 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.515 0.674 . . . . 0.0 110.395 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.538 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -65.3 -34.15 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.273 -177.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.42 -29.32 68.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.445 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.27 -43.27 70.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.125 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 33.6 mm -67.6 -33.33 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.114 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.4 mm -56.36 -47.03 81.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.34 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.68 -37.73 65.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.28 91.78 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.936 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.686 HD21 HG21 ' B' ' 696' ' ' VAL . 47.4 mt -59.16 -38.8 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 111.154 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -92.61 12.9 21.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.503 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.595 ' HB2' ' HZ3' ' B' ' 687' ' ' LYS . 0.3 OUTLIER -115.29 -46.62 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.583 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -145.98 97.67 4.49 Favored Pre-proline 0 N--CA 1.45 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.703 ' HD3' ' HG3' ' B' ' 653' ' ' ARG . 47.6 Cg_endo -68.29 -37.42 13.95 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.836 2.357 . . . . 0.0 112.948 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . 0.441 ' CB ' ' HG2' ' B' ' 649' ' ' GLN . 15.6 t -72.19 -10.53 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.256 -0.278 . . . . 0.0 111.188 -174.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.461 HG22 HD23 ' A' ' 223' ' ' LEU . 36.8 mt -102.65 -57.75 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.984 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.615 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.51 -45.17 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.673 HG13 HD13 ' B' ' 634' ' ' LEU . 52.9 t -54.32 -50.87 82.44 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.54 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 78.2 Cg_exo -52.01 -41.35 64.64 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.076 1.851 . . . . 0.0 112.58 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 23.7 mt -67.13 -56.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.147 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.686 HG21 HD21 ' B' ' 685' ' ' LEU . 3.2 m -63.5 -30.03 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.901 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' B' ' 634' ' ' LEU . 3.3 tm? -59.43 -50.04 75.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -63.42 -39.58 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.394 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 19.7 mmt180 -62.29 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.595 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' B' ' 631' ' ' ILE . 20.8 mt -63.95 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.413 ' HE2' HG23 ' B' ' 631' ' ' ILE . 28.9 mmtp -72.95 -38.11 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.574 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.24 -47.25 81.84 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 109.701 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 21.4 mmtp -69.44 -30.62 68.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.535 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 31.9 tt0 -60.19 -50.99 71.5 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -52.36 30.38 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 175.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -60.98 -49.97 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.465 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.6 m0 -69.29 -20.63 63.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.938 -177.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 15.7 mmt180 -74.35 -36.18 63.61 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.2 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.03 -34.44 77.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.184 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 207' ' ' LEU . . . -71.88 -48.21 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -60.56 -54.61 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.774 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 21.6 mtm180 -73.27 -16.39 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.189 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.73 -57.45 2.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.287 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -90.92 -64.64 1.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.42 -52.59 60.87 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -168.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.774 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 15.2 tppt? . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.49 HD11 ' HB1' ' B' ' 710' ' ' ALA . 90.4 mt . . . . . 0 N--CA 1.451 -0.375 0 CA-C-O 120.904 0.383 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 209' ' ' TYR . 3.8 t-20 -101.25 -47.45 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.702 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 208' ' ' ASN . 79.9 m-85 70.13 161.53 0.22 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.93 0.769 . . . . 0.0 111.305 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 38.4 tp 65.24 167.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.426 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 210' ' ' LEU . 87.7 mt -105.91 150.18 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 37.1 p -75.67 165.18 25.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.835 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.85 -37.46 71.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.373 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.7 -50.49 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.663 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -60.01 -48.59 81.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.826 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.17 -50.04 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.13 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 35.6 tpp -66.05 -30.44 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.261 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 221' ' ' ARG . 7.6 tp10 -59.92 -46.5 89.16 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.873 175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -43.11 94.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.39 -43.5 88.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.986 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 217' ' ' MET . 55.6 mtm180 -65.25 -40.74 94.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.977 0.418 . . . . 0.0 110.142 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . 0.469 HG22 HD13 ' B' ' 695' ' ' ILE . 26.1 m -62.93 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.181 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.482 HD23 HG22 ' B' ' 691' ' ' ILE . 75.6 mt -55.43 -39.19 69.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.331 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.394 -177.76 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 121.753 0.787 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 30.0 ttm180 -66.26 -44.13 84.51 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.623 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -57.17 -47.79 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.661 ' O ' HG23 ' B' ' 623' ' ' VAL . 37.8 tt0 -58.42 -43.89 88.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.511 ' O ' HD23 ' B' ' 624' ' ' LEU . 1.9 mm? -58.81 -51.98 67.66 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 -175.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.25 -36.52 81.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.282 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.43 -44.75 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.791 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 619' ' ' GLU . 91.8 t -57.73 -48.56 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.681 0.277 . . . . 0.0 110.35 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 620' ' ' LEU . 4.2 mm? -62.54 -44.06 97.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.016 -175.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.9 -44.5 89.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.073 0.463 . . . . 0.0 110.304 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 669' ' ' ALA . 42.4 m -61.45 -40.0 92.9 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.488 0.661 . . . . 0.0 110.187 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.526 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.07 -55.31 34.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.469 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -34.47 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.36 79.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.171 0.51 . . . . 0.0 110.377 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.458 ' HA ' HG12 ' B' ' 633' ' ' VAL . 20.1 m -69.67 -33.44 72.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.1 mm -59.07 -56.23 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -60.49 -40.37 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.121 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.56 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.5 p -68.58 -41.56 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.098 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 46.3 mt -67.73 -43.88 78.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.387 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.488 ' HA ' HD11 ' B' ' 697' ' ' LEU . 35.0 mt-10 -63.74 -34.47 77.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.361 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.1 84.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 0.0 110.268 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.678 HG21 HD21 ' B' ' 654' ' ' LEU . 46.2 mm -61.18 -51.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.19 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.18 -28.83 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.098 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -73.43 -33.8 65.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.307 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.61 -33.93 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.291 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' B' ' 689' ' ' PRO . 89.7 mt -69.37 -70.76 0.26 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 50.7 m 45.94 53.12 9.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.351 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 66.76 81.03 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.775 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.5 mt -104.78 155.75 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.607 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 15.2 m -79.76 164.31 23.78 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.33 -38.64 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 111.55 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.02 -45.02 91.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.315 0.579 . . . . 0.0 110.557 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.593 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 32.9 mt-10 -70.92 -31.57 68.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.461 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.596 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 78.4 mt-30 -73.18 -26.85 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.778 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.28 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.368 0.604 . . . . 0.0 109.381 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' B' ' 651' ' ' LYS . 35.8 ttpt -63.05 -49.48 74.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.674 176.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -124.15 98.98 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.046 0.45 . . . . 0.0 110.407 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 649' ' ' GLN . 28.4 ttm180 -127.08 158.46 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.887 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.678 HD21 HG21 ' B' ' 637' ' ' ILE . 53.4 mt -62.02 128.93 38.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.528 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.65 -81.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.531 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -86.46 -8.76 57.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.8 p -71.23 -37.36 72.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.168 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.015 -178.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 23.0 m . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 121.021 0.439 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.91 -48.23 54.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.3 p -52.98 -47.64 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.155 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.98 -34.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 111.552 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.72 -42.21 51.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.539 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -68.71 -39.87 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' B' ' 672' ' ' ARG . 22.4 ttmm -62.46 -50.17 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.234 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.439 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.14 -36.65 82.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' B' ' 670' ' ' LEU . 0.2 OUTLIER -65.08 -37.78 88.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -73.67 -23.69 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.279 -0.263 . . . . 0.0 111.123 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 668' ' ' LYS . 21.2 mmm180 -72.27 -6.75 45.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.748 0.309 . . . . 0.0 111.018 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.624 HG22 ' HG3' ' B' ' 703' ' ' LYS . 12.3 pt -125.19 -47.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -116.48 39.06 3.23 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 122.388 -0.195 . . . . 0.0 110.659 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.85 -60.11 0.32 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.25 -10.0 58.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -129.36 23.72 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.08 86.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -175.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.363 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.96 -47.99 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 109.982 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.48 -49.15 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.63 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.461 ' HA ' HD12 ' B' ' 685' ' ' LEU . 95.0 mt -62.51 -38.83 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.99 -32.63 67.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -64.77 -33.36 87.02 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.899 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' B' ' 682' ' ' ILE . 86.8 mt -60.91 -35.22 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.114 0.483 . . . . 0.0 110.144 173.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.447 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 46.5 mmm-85 -77.6 -32.54 53.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.899 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -64.9 -55.41 19.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -152.64 102.5 2.71 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.99 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' B' ' 641' ' ' LEU . 42.5 Cg_endo -67.52 -29.55 36.96 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.0 2.466 . . . . 0.0 113.407 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 88.5 p -72.59 -13.93 61.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.847 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.482 HG22 HD23 ' A' ' 223' ' ' LEU . 66.6 mt -99.8 -66.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.93 81.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.673 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.0 t -53.43 -56.08 28.12 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.673 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 48.0 Cg_exo -58.23 -41.83 62.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.042 1.828 . . . . 0.0 113.358 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.469 HD13 HG22 ' A' ' 222' ' ' THR . 26.9 mt -69.39 -51.01 46.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.424 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.84 -31.1 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.251 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 2.5 tt -65.7 -48.23 72.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.953 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 55.3 mttp -63.03 -38.71 92.28 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.84 -42.71 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.271 0.558 . . . . 0.0 109.923 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 53.1 tp -69.14 -31.85 70.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.617 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.498 ' HD2' HD12 ' B' ' 631' ' ' ILE . 8.3 tptp -70.55 -37.04 73.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.99 -41.39 91.93 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.552 0.691 . . . . 0.0 109.805 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.624 ' HG3' HG22 ' B' ' 673' ' ' ILE . 52.4 mmtt -73.0 -29.38 62.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.09 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.95 -47.11 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 38.5 mt-10 -54.71 -49.07 71.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.884 175.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.11 -55.97 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.337 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.9 m0 -65.98 -42.2 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.496 ' HA ' HD11 ' B' ' 624' ' ' LEU . 31.8 tpt180 -68.24 -38.08 81.46 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.659 -176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -68.33 -34.39 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 207' ' ' LEU . . . -63.44 -46.82 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.51 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 16.5 tt0 -65.08 -41.23 95.21 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 109.794 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.45 -49.01 77.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.408 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.78 -47.12 6.42 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.221 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -89.94 -65.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.205 0.502 . . . . 0.0 111.927 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -57.0 -58.03 9.94 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -169.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 54.2 tttm . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -175.245 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.173 0.511 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -87.02 -48.08 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.999 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.423 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 54.6 m-85 69.58 -71.43 0.12 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.895 0.747 . . . . 0.0 111.27 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.66 156.08 38.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.533 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 63.1 mt -97.13 132.01 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 169.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.8 m -65.81 156.67 32.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.411 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.45 -47.48 27.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -173.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -64.73 -25.89 68.13 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.02 -52.35 29.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' B' ' 677' ' ' LYS . 76.1 mt -59.01 -47.54 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.662 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.556 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 46.9 ttm -60.45 -41.67 94.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.851 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.65 -46.69 80.9 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.629 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 87.4 m-20 -60.38 -48.32 82.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.482 HD12 HD11 ' B' ' 681' ' ' ILE . 8.3 mp -55.56 -40.03 71.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.986 0.422 . . . . 0.0 111.321 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 217' ' ' MET . 2.7 mmp_? -79.27 -17.14 55.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 64.0 m -84.86 -40.34 17.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.285 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.1 mt -56.82 -43.11 80.69 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.244 0.545 . . . . 0.0 110.94 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 121.353 0.597 . . . . 0.0 110.928 -175.379 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.151 0.5 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.99 -42.67 97.12 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.529 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -52.5 -44.86 65.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.03 -46.51 87.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.97 -43.1 59.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.185 0.517 . . . . 0.0 111.82 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' B' ' 625' ' ' GLU . 5.7 t0 -63.22 -47.2 83.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.69 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.03 -45.27 91.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.556 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.441 HG13 HD22 ' B' ' 624' ' ' LEU . 14.5 p -61.79 -38.95 81.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.023 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -66.54 -46.76 75.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.266 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 621' ' ' ASP . 43.7 mm-40 -62.67 -45.87 90.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.257 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.587 HG22 ' HB2' ' B' ' 669' ' ' ALA . 25.1 m -60.68 -40.15 91.06 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.32 0.581 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.57 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -59.54 -55.78 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.267 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.494 HD23 HH21 ' B' ' 708' ' ' ARG . 1.0 OUTLIER -58.56 -42.97 89.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.971 -175.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.04 92.4 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 110.768 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 32.0 m -69.07 -35.7 76.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.656 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.4 mm -56.96 -49.28 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -53.6 -55.75 23.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.534 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.689 ' O ' HG12 ' B' ' 637' ' ' ILE . 13.4 p -65.1 -38.62 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.174 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.881 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.1 mm? -62.3 -48.57 79.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.59 0.233 . . . . 0.0 111.492 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.66 -32.54 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.291 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.56 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.673 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.689 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.4 mm -63.82 -52.89 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.84 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.44 -34.1 72.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.53 -49.01 78.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.702 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.72 -38.5 83.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -61.82 -60.15 4.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.933 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 48.9 m 58.7 23.37 11.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.842 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 643' ' ' ARG . 32.4 mtp-105 67.57 91.73 0.09 Allowed 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.791 0.682 . . . . 0.0 110.972 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.62 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 93.1 mt -101.39 164.94 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 15.3 t -74.49 167.48 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.092 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.57 -50.12 63.6 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.84 -33.93 75.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.616 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.62 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 49.2 mt-10 -74.19 -32.76 63.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.95 -25.4 63.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.332 0.586 . . . . 0.0 110.655 176.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.95 -33.04 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.32 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 4.4 tmmm? -73.42 -59.17 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.006 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.77 97.68 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 24.0 ttm180 -122.19 159.84 26.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.658 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.582 ' HG ' HD12 ' B' ' 658' ' ' LEU . 2.3 mm? -82.72 85.87 6.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.263 0.554 . . . . 0.0 111.237 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -114.33 -27.88 7.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.623 172.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -83.18 -3.24 57.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.637 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 15.3 t -159.16 171.21 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.435 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.582 HD12 ' HG ' ' B' ' 654' ' ' LEU . 72.1 mt . . . . . 0 N--CA 1.469 0.505 0 O-C-N 123.647 0.592 . . . . 0.0 110.653 -172.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.461 0.112 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.44 -25.78 57.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.257 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.65 -48.6 59.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.64 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.5 pt -70.34 -32.83 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.425 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.03 -42.15 27.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.018 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.653 ' HG3' HD13 ' B' ' 682' ' ' ILE . 56.8 ttm-85 -65.27 -42.62 93.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -65.54 -38.53 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.587 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -65.78 -40.07 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.469 HD12 HG12 ' B' ' 682' ' ' ILE . 85.6 mt -71.89 -35.56 69.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -70.78 -24.31 62.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.75 0.31 . . . . 0.0 110.749 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -65.43 -36.99 85.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.852 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.559 HG21 ' HG3' ' B' ' 703' ' ' LYS . 17.7 pt -101.24 -34.25 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.983 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.423 ' CD2' HG13 ' B' ' 673' ' ' ILE . 81.3 m-85 -105.38 32.28 4.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.13 -40.22 0.2 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.08 -49.65 9.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 216' ' ' ILE . 74.5 mmtt -118.88 33.52 5.61 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.68 70.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.674 0.273 . . . . 0.0 111.492 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -54.4 -37.89 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.358 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -86.47 -29.7 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.108 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 220' ' ' LEU . 45.0 mm -70.79 -45.21 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.012 0.435 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.653 HD13 ' HG3' ' B' ' 667' ' ' ARG . 91.9 mt -64.51 -44.2 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.094 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.75 -33.78 75.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.01 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.09 43.67 Favored Glycine 0 C--N 1.333 0.405 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.902 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.39 -34.11 76.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.38 . . . . 0.0 111.362 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 58.2 mtp180 -98.95 17.06 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.418 ' HG2' ' OD1' ' B' ' 688' ' ' ASN . 32.5 ttpt -128.79 -53.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.455 ' HB3' ' HB ' ' B' ' 691' ' ' ILE . 19.8 m120 -128.82 83.48 66.06 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.736 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.561 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 35.6 Cg_endo -64.96 -39.28 25.27 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.181 1.921 . . . . 0.0 113.382 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 7.6 t -79.56 0.85 28.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.209 0.528 . . . . 0.0 110.342 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' B' ' 688' ' ' ASN . 63.1 mt -111.74 -61.19 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.674 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.94 35.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.229 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 55.2 t -48.85 -55.33 20.74 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.2 Cg_endo -56.94 -43.51 53.45 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.827 1.685 . . . . 0.0 112.79 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.523 HD12 HD23 ' A' ' 223' ' ' LEU . 60.0 mt -68.75 -53.26 27.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.888 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.11 -38.78 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.362 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.881 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.1 tt -63.81 -44.37 93.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.28 -35.83 80.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.819 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.422 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 37.1 mmt180 -62.99 -37.52 87.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.177 0.513 . . . . 0.0 109.866 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 67.6 mt -66.08 -32.57 74.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.999 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.52 -34.95 67.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.743 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 4.7 ttm -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 109.754 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.559 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.8 mmtt -72.63 -29.89 63.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.298 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.08 -50.08 70.05 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.3 -48.5 78.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.49 -55.36 35.59 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.423 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 17.3 m0 -68.06 -34.37 76.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.997 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.494 HH21 HD23 ' B' ' 628' ' ' LEU . 33.3 mmt180 -68.19 -35.64 78.32 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.838 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.46 -36.28 65.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.769 0.319 . . . . 0.0 110.385 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.27 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.244 0.545 . . . . 0.0 109.924 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -63.35 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.117 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.628 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 44.0 ttt180 -54.15 -40.04 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.315 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -70.87 -52.56 14.13 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.746 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -89.16 -67.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.94 -35.12 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.628 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 4.2 tmtm? . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.547 ' HB3' ' HE2' ' A' ' 209' ' ' TYR . 95.5 mt . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.65 0.262 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -95.4 -58.79 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.226 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.547 ' HE2' ' HB3' ' A' ' 207' ' ' LEU . 89.8 m-85 71.69 -50.04 0.69 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.292 0.637 . . . . 0.0 112.214 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 48.1 tp -86.41 168.37 13.86 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.431 ' N ' ' HG ' ' A' ' 210' ' ' LEU . 91.4 mt -114.0 145.04 42.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 4.0 m -60.74 147.56 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.719 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.13 -40.39 46.03 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.0 -46.75 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.756 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.53 -47.56 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.77 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.481 HG12 ' HD1' ' B' ' 674' ' ' TYR . 59.2 mt -56.56 -49.68 76.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.182 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.5 ' HG2' ' HD3' ' A' ' 221' ' ' ARG . 48.2 ttm -72.8 -28.7 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.664 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.62 -49.3 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.7 m-20 -58.11 -52.25 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 47.2 tp -55.25 -40.69 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.908 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.5 ' HD3' ' HG2' ' A' ' 217' ' ' MET . 11.5 mtp180 -73.18 -38.75 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.44 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 95.3 m -64.82 -30.27 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.124 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -59.21 -19.66 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.321 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.633 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.872 0.368 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -61.65 -38.34 87.37 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.343 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.79 -48.64 69.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.041 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.95 -42.27 99.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.253 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.504 ' HA ' HG12 ' B' ' 623' ' ' VAL . 3.9 mm? -64.58 -45.57 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.434 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.49 -42.62 98.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.156 0.503 . . . . 0.0 109.941 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.27 -45.36 86.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.562 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.2 p -68.87 -37.01 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.236 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -65.79 -45.09 83.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.84 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.87 -50.12 73.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.479 0.657 . . . . 0.0 109.804 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.712 HG23 ' HB ' ' B' ' 665' ' ' ILE . 94.5 m -63.82 -43.7 95.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.549 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.519 ' OD1' ' HA ' ' B' ' 704' ' ' GLU . 3.4 t-20 -56.29 -59.37 5.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.022 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.494 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.5 tt -65.91 -30.37 70.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.725 -173.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 633' ' ' VAL . . . -60.29 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 109.842 173.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 14.4 m -63.39 -34.68 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.445 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.532 HD12 ' HD2' ' B' ' 701' ' ' LYS . 33.3 mm -52.39 -52.71 23.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.156 0.503 . . . . 0.0 110.398 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 74.2 mtp180 -65.11 -30.03 70.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.992 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 629' ' ' ALA . 41.1 t -64.67 -64.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.269 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' B' ' 697' ' ' LEU . 3.4 mm? -58.37 -38.98 78.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.381 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 1.3 mm-40 -59.83 -48.23 82.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.649 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.96 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.712 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 633' ' ' VAL . 81.5 mt -64.74 -47.69 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.79 -39.29 84.47 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 67.3 mttm -63.31 -41.0 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -70.17 -36.79 74.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 95.9 mt -64.81 -60.13 3.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 52.8 m 56.35 24.76 8.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.983 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' B' ' 690' ' ' SER . 66.7 mtt180 54.96 65.49 1.49 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.326 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.698 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.4 mt -65.57 166.67 10.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.217 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 14.7 m -65.69 162.52 18.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.83 -45.04 67.12 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.004 0.43 . . . . 0.0 111.801 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -61.25 -39.38 90.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.698 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 33.1 mt-10 -79.82 -22.52 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.457 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -73.49 -27.47 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.027 0.441 . . . . 0.0 110.062 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.03 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.961 170.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -57.77 -58.48 8.18 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.276 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -107.19 80.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.845 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -98.66 153.71 18.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' B' ' 685' ' ' LEU . 8.4 mp -75.27 58.54 0.96 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -114.34 -3.8 13.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.321 0.581 . . . . 0.0 110.159 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -105.27 1.19 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.515 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 19.0 m -145.17 152.04 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.155 -178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' B' ' 657' ' ' THR . 82.6 mt . . . . . 0 N--CA 1.466 0.339 0 O-C-N 123.608 0.568 . . . . 0.0 111.09 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 121.106 0.479 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.55 -40.59 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.89 -47.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.879 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.712 ' HB ' HG23 ' B' ' 626' ' ' THR . 25.2 pt -68.55 -41.63 83.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.168 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -70.63 -43.75 68.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 667' ' ' ARG . 16.7 ttm-85 -65.53 -42.03 92.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.051 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.67 -45.54 93.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.85 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.65 HD12 HD11 ' B' ' 673' ' ' ILE . 12.8 tp -71.03 -33.98 70.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.353 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 33.4 mt-30 -69.41 -24.61 63.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.637 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -78.25 -27.87 47.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.901 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.65 HD11 HD12 ' B' ' 670' ' ' LEU . 32.6 pt -95.31 -32.18 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.303 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.481 ' HD1' HG12 ' A' ' 216' ' ' ILE . 32.6 m-85 -122.66 48.59 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . 0.614 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -31.78 -53.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.67 -37.25 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.11 25.17 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.31 97.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.786 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.336 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.48 -43.95 72.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.096 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.99 -47.18 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.606 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' B' ' 685' ' ' LEU . 98.8 mt -61.09 -42.15 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.07 -43.43 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.041 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.02 98.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.291 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.646 HD21 HG11 ' B' ' 696' ' ' VAL . 58.7 mt -56.04 -38.32 70.41 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.08 -52.83 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.826 0.346 . . . . 0.0 110.754 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.498 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 11.4 ttmt -59.4 -51.86 68.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.076 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -133.31 82.95 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.24 -50.63 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.464 2.11 . . . . 0.0 113.085 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . 0.488 ' HB3' ' HG2' ' B' ' 643' ' ' ARG . 24.2 m -66.57 -10.12 42.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.669 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 36.3 mt -91.72 -45.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.83 0.347 . . . . 0.0 110.571 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -84.09 -40.59 18.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -175.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.666 HG12 ' HD3' ' B' ' 694' ' ' PRO . 2.9 p -59.37 -36.04 36.91 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.666 ' HD3' HG12 ' B' ' 693' ' ' VAL . 11.7 Cg_exo -72.31 -40.98 2.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 121.493 1.462 . . . . 0.0 111.697 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 15.1 mt -67.52 -51.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.393 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.646 HG11 HD21 ' B' ' 685' ' ' LEU . 4.3 p -65.07 -33.82 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.37 -175.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.491 HD21 ' HG2' ' B' ' 635' ' ' GLU . 56.4 tp -72.72 -34.9 67.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.614 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.16 -45.21 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.229 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.447 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 29.8 mmt180 -62.6 -39.73 94.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.277 0.56 . . . . 0.0 109.874 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 27.4 tp -66.51 -32.45 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.615 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.532 ' HD2' HD12 ' B' ' 631' ' ' ILE . 4.8 mptp? -71.9 -37.62 70.08 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.5 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.4 ttp -63.47 -40.07 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.423 ' HE2' HG22 ' B' ' 673' ' ' ILE . 15.7 mmtm -70.12 -33.45 71.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.081 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.519 ' HA ' ' OD1' ' B' ' 627' ' ' ASN . 32.7 tt0 -55.72 -43.88 76.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.182 0.515 . . . . 0.0 109.749 174.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.1 -42.42 84.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 709' ' ' GLU . 35.4 tt0 -59.5 -48.9 79.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -71.95 -28.91 63.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -64.69 -39.25 93.33 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 171.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 706' ' ' GLU . 27.7 mm-40 -56.89 -49.47 75.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.576 174.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.11 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.093 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.48 -37.07 85.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.641 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 58.5 mtm-85 -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.372 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -86.57 -48.71 4.4 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.952 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.73 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.77 -42.07 67.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.519 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 53.9 tttm . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 35.4 mt . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -76.7 84.56 3.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.735 0.779 . . . . 0.0 109.964 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.12 -48.27 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 672' ' ' ARG . 76.7 mt -72.76 139.14 46.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.177 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.02 155.5 28.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 46.7 p -73.4 152.24 40.88 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.415 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 -31.61 60.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.12 -54.64 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.03 -34.69 78.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.007 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.41 ' O ' HD13 ' A' ' 220' ' ' LEU . 77.5 mt -64.59 -51.3 69.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.778 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.315 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.16 -52.3 65.85 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.328 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.72 -51.33 69.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.264 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 216' ' ' ILE . 10.2 mp -53.75 -45.91 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.569 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.666 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 1.6 mmp_? -70.47 -32.62 70.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.939 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 77.7 m -67.19 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 110.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.476 ' HA ' HG21 ' B' ' 691' ' ' ILE . 88.3 mt -59.18 -20.7 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 121.378 0.609 . . . . 0.0 109.893 178.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 CA--C 1.512 -0.494 0 CA-C-O 121.052 0.453 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' B' ' 617' ' ' ARG . 9.0 ttp180 -64.3 -33.96 77.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.71 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.6 -54.39 47.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.982 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.413 ' CD ' HH12 ' B' ' 672' ' ' ARG . 39.3 tt0 -69.01 -29.84 68.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.426 ' HA ' HG12 ' B' ' 623' ' ' VAL . 1.4 mm? -66.22 -43.12 87.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.11 -41.45 81.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.074 0.464 . . . . 0.0 109.953 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.85 -48.01 88.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.498 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.3 p -65.53 -36.1 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.054 -177.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.6 mm? -66.85 -40.42 87.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 110.6 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.39 -48.43 81.28 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.557 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.582 HG22 ' HB2' ' B' ' 669' ' ' ALA . 29.8 m -61.07 -41.91 97.5 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.454 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.481 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.3 t-20 -58.07 -61.06 2.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.705 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.39 -41.16 72.27 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.56 73.0 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 110.887 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 58.8 m -67.11 -35.39 79.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.849 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' B' ' 635' ' ' GLU . 24.9 mm -58.79 -55.71 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.282 174.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -56.43 -45.21 80.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.316 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.678 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.6 p -64.76 -42.75 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.661 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 44.8 mt -70.72 -36.1 73.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' B' ' 697' ' ' LEU . 52.7 mt-10 -59.45 -41.61 90.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -62.79 -43.61 98.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.774 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.678 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.5 mm -61.11 -54.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.031 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' B' ' 694' ' ' PRO . 8.6 tt0 -60.65 -36.18 78.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 110.618 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -61.6 -47.13 86.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.436 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 97.9 mttt -68.6 -28.63 67.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -73.28 -70.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.676 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.0 m 55.03 32.84 19.0 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 69.34 96.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.885 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.791 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 97.1 mt -112.4 162.41 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.223 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 36.0 t -76.06 163.74 26.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.11 -34.31 63.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 111.671 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.14 -40.11 86.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.213 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.791 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 36.7 mt-10 -75.1 -32.2 61.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.19 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 645' ' ' SER . 76.2 mt-30 -65.95 -31.54 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.399 176.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.77 64.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -78.1 -56.25 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.101 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -110.29 102.86 11.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 40.2 ttp180 -135.36 165.99 24.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.969 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 685' ' ' LEU . 2.9 mm? -79.81 97.34 6.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.065 0.459 . . . . 0.0 109.972 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -132.03 -80.39 0.51 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.96 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -99.77 6.03 45.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 p -84.37 -32.39 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.541 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.4 tt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 -179.775 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 CA--C 1.529 0.15 0 CA-C-O 121.25 0.547 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.0 -47.67 85.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.255 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.87 -45.71 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.344 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.5 -34.67 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 O-C-N 122.23 -0.294 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -70.05 -43.24 71.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' B' ' 667' ' ' ARG . 8.7 tpt180 -61.12 -49.06 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.225 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.39 -38.36 83.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.486 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -65.94 -45.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.735 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.9 -32.07 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -72.03 -28.05 63.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.559 0.219 . . . . 0.0 111.31 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.482 ' O ' HD23 ' A' ' 210' ' ' LEU . 10.0 ttm180 -73.49 -29.98 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.561 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.62 -39.28 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.929 0.395 . . . . 0.0 111.491 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -114.29 39.31 2.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.307 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.1 -38.51 3.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -76.32 -43.05 42.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.508 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.455 ' O ' HG12 ' B' ' 681' ' ' ILE . 70.7 mmtt -120.64 33.97 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.536 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -59.27 -46.12 89.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.203 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.15 79.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -69.73 -39.97 76.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.198 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 677' ' ' LYS . 47.5 mm -71.04 -40.64 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.536 HG12 ' O ' ' B' ' 678' ' ' ALA . 33.4 mm -57.46 -46.59 85.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.05 0.453 . . . . 0.0 109.964 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.6 -41.99 99.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.37 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.2 -43.51 98.36 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.501 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.493 ' O ' HD23 ' B' ' 654' ' ' LEU . 87.8 mt -57.81 -44.06 86.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.237 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' B' ' 682' ' ' ILE . 59.1 mtm180 -73.9 -25.25 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.046 0.451 . . . . 0.0 110.552 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 36.9 ttmt -80.61 -50.16 10.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.218 -175.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.423 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 40.1 t-20 -149.14 97.51 3.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.258 0.552 . . . . 0.0 110.228 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 37.2 Cg_endo -65.91 -25.11 52.69 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.903 2.402 . . . . 0.0 112.42 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 23.1 t -75.83 -9.56 58.7 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.435 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.476 HG21 ' HA ' ' A' ' 223' ' ' LEU . 43.8 mt -106.62 -65.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.58 95.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.659 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.3 t -55.83 -53.93 57.55 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -54.89 -41.94 73.66 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.175 1.917 . . . . 0.0 112.909 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.558 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.6 mt -73.53 -49.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.911 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.462 HG11 HD21 ' B' ' 685' ' ' LEU . 2.9 p -64.27 -33.77 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.229 0.537 . . . . 0.0 110.289 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' B' ' 635' ' ' GLU . 1.9 tt -68.32 -40.25 81.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -57.83 -42.75 84.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.929 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 34.1 mmt180 -63.39 -46.58 85.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.334 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' B' ' 631' ' ' ILE . 20.8 mt -69.81 -32.85 71.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.797 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.416 ' HE2' ' OE1' ' B' ' 704' ' ' GLU . 3.1 tptm -73.06 -35.85 66.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.092 0.472 . . . . 0.0 109.83 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 54.2 ttp -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.521 173.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -71.76 -31.5 66.7 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.416 ' OE1' ' HE2' ' B' ' 701' ' ' LYS . 35.1 tt0 -57.37 -49.0 77.57 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.77 -49.48 68.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.52 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.66 -50.23 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -65.59 -33.85 76.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.741 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.419 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 51.2 mm-40 -65.51 -36.53 84.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.855 0.359 . . . . 0.0 110.735 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.26 68.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 0.0 110.31 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.07 -37.25 86.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.905 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.597 ' HA ' ' CG ' ' B' ' 716' ' ' LYS . 10.0 ptm180 -74.1 -17.23 60.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -87.22 -50.38 3.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.697 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -90.19 -64.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.85 -56.53 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -167.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.597 ' CG ' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.116 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 80.1 mt . . . . . 0 CA--C 1.522 -0.13 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . 0.584 ' HB2' ' OE2' ' B' ' 706' ' ' GLU . 85.5 m-20 -108.96 90.69 3.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' B' ' 673' ' ' ILE . 24.8 m-85 -68.99 -40.05 78.98 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.149 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.46 158.04 17.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.072 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.729 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 77.7 mt -100.04 155.38 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 25.1 p -69.36 137.68 53.06 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -63.3 -23.04 67.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.173 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.94 -54.07 46.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.13 -43.8 98.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.333 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.646 ' O ' ' HB2' ' A' ' 220' ' ' LEU . 72.4 mt -57.35 -46.9 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.594 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 44.4 ttm -68.56 -31.28 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.682 0.277 . . . . 0.0 110.639 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.53 -55.56 33.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.6 p30 -77.44 -29.38 52.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.962 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 216' ' ' ILE . 0.5 OUTLIER -53.86 -45.32 70.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 110.2 175.042 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 217' ' ' MET . 92.9 mtt180 -70.11 -43.89 70.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.348 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 93.3 m -59.6 -32.85 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 83.3 mt -63.87 -16.59 61.74 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 121.143 0.497 . . . . 0.0 111.211 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.688 179.05 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 . . . . . 0 N--CA 1.446 -0.662 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' B' ' 715' ' ' ASN . 28.3 ttp-105 -56.13 -38.69 71.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.73 -48.15 83.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.65 -30.9 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.314 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.523 ' HA ' HG12 ' B' ' 623' ' ' VAL . 2.5 mm? -66.7 -40.44 88.47 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.766 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.38 -43.46 90.67 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.77 -53.44 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.474 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.4 p -63.94 -39.52 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.913 -0.13 . . . . 0.0 111.34 -176.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 624' ' ' LEU . 1.9 mm? -63.94 -43.22 96.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.739 0.304 . . . . 0.0 110.849 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -71.33 -38.19 71.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.079 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.579 HG22 ' HB2' ' B' ' 669' ' ' ALA . 89.4 m -62.34 -45.18 94.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.277 0.56 . . . . 0.0 110.07 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.16 -44.3 95.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.202 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.87 -47.19 85.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.806 -177.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.52 94.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.15 0.5 . . . . 0.0 110.916 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' B' ' 666' ' ' HIS . 32.1 m -68.7 -36.62 78.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.479 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 1.0 OUTLIER -57.6 -47.56 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.559 174.498 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 15.7 mmm180 -67.27 -45.09 77.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.391 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.546 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.2 p -64.13 -41.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.053 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.42 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.3 mt -69.08 -41.14 77.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.479 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.417 ' OE2' HG23 ' B' ' 631' ' ' ILE . 43.3 mt-10 -63.91 -36.44 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.269 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.316 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.546 HG12 ' O ' ' B' ' 633' ' ' VAL . 47.9 mm -58.2 -44.55 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.226 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -55.61 -42.47 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -73.71 -35.14 65.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 28.4 mtpp -70.88 -29.07 65.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.373 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 81.2 mt -71.28 -64.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.34 174.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 74.9 m 49.12 38.31 12.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 67.72 82.78 0.17 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.956 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 81.1 mt -87.5 155.27 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.103 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 32.8 t -73.0 167.54 20.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.85 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.893 0.378 . . . . 0.0 111.034 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.83 -27.86 68.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.241 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.7 mt-10 -76.56 -34.65 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.465 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 45.3 mt-30 -73.47 -21.54 60.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.599 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.99 59.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 109.8 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 33.8 ttpt -88.33 -60.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.853 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -103.52 112.13 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.248 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.473 ' HG2' ' H ' ' B' ' 654' ' ' LEU . 18.2 ttp180 -131.83 171.29 13.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.36 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.473 ' H ' ' HG2' ' B' ' 653' ' ' ARG . 8.6 mp -78.74 63.42 3.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 0.0 111.003 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -109.32 127.52 54.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.014 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 69.77 7.13 6.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.034 0.534 . . . . 0.0 111.709 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 4.1 p -97.6 -38.68 9.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.295 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' B' ' 663' ' ' GLU . 7.9 mp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 110.228 177.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.132 0.491 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' B' ' 658' ' ' LEU . 41.7 tt0 -59.37 -52.37 65.92 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.21 -33.86 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 0.0 111.158 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.422 HG23 HG23 ' B' ' 626' ' ' THR . 53.3 mt -67.08 -57.45 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . 0.442 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.3 m-70 -69.99 -36.9 75.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.41 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -61.0 -52.47 64.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.274 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.95 -44.56 94.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.319 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -61.04 -44.94 96.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.838 HD23 HG12 ' B' ' 682' ' ' ILE . 14.0 tp -76.71 -36.88 56.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.452 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 86.5 mt-30 -66.5 -24.22 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.058 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.573 ' NE ' ' HA ' ' B' ' 672' ' ' ARG . 3.2 tpm_? -64.91 -51.66 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.699 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.729 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.0 pt -79.77 -39.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.577 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.66 ' CD1' HG13 ' B' ' 681' ' ' ILE . 30.7 m-85 -99.29 31.22 3.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.224 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.56 3.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.83 -15.52 56.16 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -152.55 35.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.418 0.628 . . . . 0.0 110.585 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.452 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -62.28 -43.73 98.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.903 -173.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.4 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.755 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.05 -27.67 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.993 0.425 . . . . 0.0 110.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.66 HG13 ' CD1' ' B' ' 674' ' ' TYR . 47.5 mm -80.11 -45.67 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.199 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.838 HG12 HD23 ' B' ' 670' ' ' LEU . 82.9 mt -63.96 -37.04 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.34 0.591 . . . . 0.0 109.904 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.55 -25.23 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.652 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -57.58 -44.77 93.75 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.253 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.436 ' HB3' HD22 ' B' ' 654' ' ' LEU . 71.5 mt -62.89 -34.11 76.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.369 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.469 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 21.5 mtm180 -84.81 -28.54 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.566 . . . . 0.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -70.44 -62.69 1.29 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.843 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.405 ' HB3' ' CG1' ' B' ' 691' ' ' ILE . 85.4 m-20 -130.41 90.73 40.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.731 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.465 ' HG2' ' OE1' ' B' ' 649' ' ' GLN . 18.8 Cg_endo -60.95 -46.34 16.47 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.196 1.931 . . . . 0.0 112.581 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 8.6 t -70.55 -3.93 20.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.194 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' B' ' 688' ' ' ASN . 44.8 mm -108.14 -59.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.15 61.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.623 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 48.3 t -52.19 -54.43 41.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.72 -176.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.623 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 32.1 Cg_exo -59.43 -44.54 32.07 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.814 1.676 . . . . 0.0 112.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.69 -54.26 20.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.61 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.84 -38.88 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' B' ' 634' ' ' LEU . 63.7 tp -65.87 -36.52 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 177.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.13 -42.84 99.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 110.633 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.634 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 22.2 mmt180 -63.48 -39.26 93.98 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.394 0.616 . . . . 0.0 110.527 176.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 16.9 tp -72.66 -29.62 63.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.675 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 62.5 mmtt -73.4 -33.7 65.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.064 175.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 55.0 ttp -61.52 -43.72 98.35 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.163 0.506 . . . . 0.0 109.712 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 25.7 mmtp -78.24 -27.27 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.025 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 171.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.12 -48.26 80.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.814 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 208' ' ' ASN . 30.6 tt0 -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.402 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 5.9 m0 -67.93 -28.42 67.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.39 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -46.13 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.92 -33.73 76.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.26 68.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 36.6 tt0 -65.59 -30.17 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.237 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 78.9 ttt180 -61.41 -33.92 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.374 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.41 -46.07 10.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.934 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -88.56 -65.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.915 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.469 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 49.7 t30 -68.91 -47.73 65.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.485 -171.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 50.0 tttm . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.672 -176.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 121.368 0.604 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -93.55 110.64 22.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.729 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -92.52 -49.39 6.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.911 0.386 . . . . 0.0 110.536 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -83.59 169.81 14.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.551 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.39 176.62 5.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.065 171.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -81.33 145.27 30.95 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.7 -35.75 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.38 0.609 . . . . 0.0 109.843 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.79 -55.23 32.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.148 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.14 -34.5 73.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.83 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.41 HG12 ' HD1' ' B' ' 674' ' ' TYR . 78.4 mt -62.49 -50.75 78.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.334 0.588 . . . . 0.0 110.359 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 45.1 ttm -67.38 -33.62 75.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.75 -45.43 85.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.222 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.82 -53.06 62.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.83 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.543 HD22 ' HD3' ' B' ' 677' ' ' LYS . 49.3 tp -55.85 -41.52 74.44 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.382 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 217' ' ' MET . 99.3 mtt180 -69.61 -38.57 77.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.049 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 90.4 m -62.97 -32.52 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.733 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.51 -35.04 73.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.509 -177.203 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 4.6 tp10 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -71.85 -33.67 68.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.155 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 622' ' ' VAL . 9.2 m-85 -61.7 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.49 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.72 -44.06 85.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.561 ' HB3' ' OE1' ' B' ' 711' ' ' GLN . 93.0 mt -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.705 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.26 -41.07 87.95 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 618' ' ' PHE . 94.0 t -68.87 -51.33 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 620' ' ' LEU . 7.2 p -61.1 -40.98 87.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.159 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.64 ' HG ' ' HG2' ' B' ' 711' ' ' GLN . 0.8 OUTLIER -61.38 -51.41 68.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 111.2 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.22 -42.93 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.548 HG22 ' HB2' ' B' ' 669' ' ' ALA . 20.8 m -64.18 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.195 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.514 ' O ' HG12 ' B' ' 631' ' ' ILE . 2.9 t-20 -61.75 -54.31 44.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.46 176.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.52 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 5.0 tt -61.79 -38.25 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.763 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.4 85.9 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.613 0.721 . . . . 0.0 110.339 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.563 HG22 HD23 ' B' ' 634' ' ' LEU . 24.1 m -66.85 -33.7 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.368 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 627' ' ' ASN . 43.2 mm -56.55 -48.57 80.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.259 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 71.7 mtp180 -57.21 -53.62 56.0 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.927 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.554 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.0 p -69.45 -33.77 58.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.66 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 0.6 OUTLIER -61.64 -50.34 72.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.621 0.248 . . . . 0.0 111.065 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' B' ' 697' ' ' LEU . 29.7 mt-10 -64.35 -34.37 78.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.37 82.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.554 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.6 mm -63.49 -45.09 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -59.19 -39.35 82.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' B' ' 639' ' ' LYS . 39.4 ttmt -68.72 -38.65 80.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.673 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.78 -31.15 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' B' ' 689' ' ' PRO . 79.0 mt -72.67 -70.28 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.244 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.7 m 60.46 23.48 13.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.321 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 67.2 94.61 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 111.073 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.772 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 87.8 mt -108.66 167.16 10.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.224 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.4 p -78.18 167.47 21.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.57 65.24 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.67 -37.23 86.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.796 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.772 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 35.3 mt-10 -79.29 -28.3 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.89 -31.01 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.937 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.17 -21.23 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.289 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -77.79 -58.91 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.995 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -103.84 109.52 21.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 60.5 ttp180 -135.21 151.51 50.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.457 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' B' ' 689' ' ' PRO . 6.1 mp -73.96 112.99 10.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.59 0.233 . . . . 0.0 110.873 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' B' ' 656' ' ' ASN . 17.6 t70 -166.73 103.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 655' ' ' ASP . 47.2 m-80 69.99 -0.32 2.79 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.819 0.699 . . . . 0.0 110.417 -171.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -20.15 59.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.053 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.679 ' HB2' ' HG3' ' B' ' 663' ' ' GLU . 73.9 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.653 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 120.784 0.326 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . 0.679 ' HG3' ' HB2' ' B' ' 658' ' ' LEU . 33.4 tt0 -73.98 -29.86 62.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.1 p -54.66 -47.1 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.769 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' B' ' 626' ' ' THR . 35.1 pt -68.63 -36.08 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.984 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -73.51 -44.8 56.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.043 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 16.5 ttm180 -61.05 -48.11 83.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.927 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.24 -43.07 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.411 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.548 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.94 -44.04 97.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.196 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.407 ' O ' HG12 ' B' ' 673' ' ' ILE . 32.8 tp -69.88 -36.68 75.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 26.1 mt-30 -69.7 -24.26 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.714 0.292 . . . . 0.0 110.863 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -72.45 -12.54 61.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.644 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.427 HG21 ' HG3' ' B' ' 703' ' ' LYS . 39.9 pt -107.43 -23.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.082 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.41 ' HD1' HG12 ' A' ' 216' ' ' ILE . 22.7 m-85 -115.02 25.81 10.62 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.47 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' B' ' 678' ' ' ALA . . . -39.48 -46.21 1.66 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . 0.522 ' OD1' ' HG2' ' B' ' 677' ' ' LYS . 13.8 t70 -52.15 -47.95 65.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.543 ' HD3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -118.98 34.08 5.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.111 -178.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' B' ' 675' ' ' ALA . . . -57.97 -51.87 67.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.76 -173.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.8 -45.94 48.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.117 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.436 HG12 ' O ' ' B' ' 677' ' ' LYS . 43.6 mm -65.02 -41.92 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.41 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 37.5 mm -60.81 -43.38 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.54 -36.54 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.605 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.24 -46.0 94.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.256 -0.497 . . . . 0.0 111.903 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.498 HD21 HG21 ' B' ' 696' ' ' VAL . 58.6 mt -59.78 -34.67 73.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.435 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 2.1 tpt180 -76.29 -12.71 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.837 -176.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -108.15 -53.3 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.466 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 43.1 t-20 -136.65 91.55 15.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.601 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.615 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 50.7 Cg_endo -70.45 -26.84 23.91 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.58 2.187 . . . . 0.0 112.35 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -29.2 70.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.504 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 695' ' ' ILE . 67.5 mt -94.6 -54.27 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.535 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -64.72 -52.03 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.463 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 88.9 t -55.79 -49.86 90.42 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -169.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.2 Cg_endo -56.49 -38.97 94.34 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.444 1.429 . . . . 0.0 112.479 177.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 691' ' ' ILE . 13.4 mt -70.33 -53.13 24.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 110.602 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.535 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.6 m -61.34 -35.2 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.252 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.66 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.0 tt -63.42 -43.02 98.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.982 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 61.3 mttp -56.09 -49.77 72.89 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -68.2 -30.87 70.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.052 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.6 tp -72.74 -36.45 67.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.243 0.544 . . . . 0.0 109.787 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.424 ' HD2' HD12 ' B' ' 631' ' ' ILE . 9.0 tptm -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.972 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.0 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.963 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 46.2 mmtt -69.04 -38.8 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.463 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.43 -46.25 83.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.12 -46.32 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.123 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.72 -50.54 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.729 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.516 ' O ' ' HB2' ' B' ' 711' ' ' GLN . 5.4 m0 -62.29 -32.68 73.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.727 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' B' ' 708' ' ' ARG . 7.2 mmt180 -66.53 -43.24 85.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.29 -29.61 65.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.444 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.42 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.22 0.534 . . . . 0.0 110.21 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.64 ' HG2' ' HG ' ' B' ' 624' ' ' LEU . 8.8 tp60 -62.56 -30.52 71.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.137 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.9 ttp180 -62.93 -31.58 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.497 176.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.19 -41.27 10.39 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.483 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -89.02 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.825 0.345 . . . . 0.0 111.869 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' B' ' 711' ' ' GLN . 27.4 t-20 -69.32 -49.59 54.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.847 -171.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 22.8 ttpt . . . . . 0 C--N 1.331 -0.236 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.564 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -102.72 9.63 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.748 ' HD2' ' HE1' ' B' ' 707' ' ' TRP . 92.5 m-85 74.33 -30.41 0.2 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.139 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.443 HD23 ' O ' ' B' ' 672' ' ' ARG . 72.5 mt -73.36 -175.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 111.199 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.444 ' CD1' ' HE3' ' B' ' 703' ' ' LYS . 5.8 mp -113.74 172.73 6.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 30.7 p -79.85 150.07 30.77 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.54 -44.91 13.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.939 0.495 . . . . 0.0 111.335 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -52.53 -37.76 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.475 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -78.32 -39.43 39.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.224 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 211' ' ' LEU . 2.2 mp -61.96 -48.58 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -33.46 75.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.6 -52.45 64.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.294 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -64.45 -38.75 92.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.143 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.98 -43.17 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.145 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -67.2 -30.49 70.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.779 176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 59.5 m -68.92 -31.36 70.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.387 0.137 . . . . 0.0 111.112 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.507 HD23 HG22 ' B' ' 691' ' ' ILE . 52.8 mt -62.81 -32.55 73.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.228 0.537 . . . . 0.0 109.555 173.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.805 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . 0.404 ' OE1' ' HB3' ' B' ' 714' ' ' PHE . 37.1 tt0 . . . . . 0 C--O 1.238 0.497 0 CA-C-O 121.614 0.721 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.425 ' HD3' HH11 ' B' ' 617' ' ' ARG . 35.3 ttt180 -65.45 -37.18 86.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.033 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.65 -53.26 32.4 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.385 0.428 . . . . 0.0 110.555 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.29 -38.84 91.46 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.636 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.507 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.11 -39.36 82.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.876 0.369 . . . . 0.0 110.32 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.16 -47.81 80.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.387 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.79 -37.13 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.009 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -69.22 -41.45 77.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.752 0.31 . . . . 0.0 110.727 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.18 -48.58 81.14 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.619 HG22 ' HB2' ' B' ' 669' ' ' ALA . 19.5 m -61.52 -39.67 91.86 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.13 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.449 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -56.77 -61.36 2.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.93 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.37 -34.93 76.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.56 92.63 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.209 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.534 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.7 m -74.55 -31.28 62.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.054 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.464 HD12 ' HD2' ' B' ' 701' ' ' LYS . 29.9 mm -60.17 -51.75 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 0.0 110.099 173.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.86 -45.74 93.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.342 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.654 ' O ' HG12 ' B' ' 637' ' ' ILE . 10.8 p -65.24 -46.11 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.393 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.497 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 40.9 mt -65.19 -39.46 92.88 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.326 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' B' ' 639' ' ' LYS . 19.3 mm-40 -61.47 -42.76 99.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.512 175.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.78 97.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.155 0.502 . . . . 0.0 110.222 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.654 HG12 ' O ' ' B' ' 633' ' ' VAL . 44.6 mm -59.3 -48.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.949 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.27 -42.03 85.6 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.803 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' B' ' 635' ' ' GLU . 46.9 mmtm -60.34 -40.54 91.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.237 0.541 . . . . 0.0 110.576 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -81.49 -23.94 37.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.593 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 61.4 mt -71.48 -71.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.719 177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.6 m 57.29 40.06 28.05 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.52 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 72.1 -38.47 0.42 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.503 1.121 . . . . 0.0 112.63 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.647 HD22 ' HB3' ' B' ' 648' ' ' GLU . 75.4 mt 63.04 -177.19 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.64 0.733 . . . . 0.0 111.937 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' B' ' 648' ' ' GLU . 7.2 m -109.49 177.79 4.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.331 172.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.5 63.94 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 120.787 0.327 . . . . 0.0 111.203 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.1 -40.4 81.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.281 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.647 ' HB3' HD22 ' B' ' 644' ' ' LEU . 43.4 mt-10 -73.72 -32.15 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -174.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -69.0 -31.53 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.457 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.17 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.232 174.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -64.23 -64.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.769 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -101.58 97.13 7.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.766 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -121.13 156.79 31.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.924 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.571 HD21 HG21 ' B' ' 637' ' ' ILE . 88.3 mt -77.6 29.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -170.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.44 -77.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.668 0.27 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -72.74 -29.12 63.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.081 0.467 . . . . 0.0 110.735 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 m -73.59 -27.68 61.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.236 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.328 -0.339 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.653 -176.38 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 121.194 0.521 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.05 -45.76 86.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.307 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -48.44 -46.02 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 O-C-N 123.811 0.695 . . . . 0.0 112.868 -170.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.52 -45.38 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.825 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . 0.409 ' CE1' HG11 ' B' ' 633' ' ' VAL . 35.9 m-70 -72.63 -43.48 63.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.268 0.556 . . . . 0.0 110.215 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 69.1 ttt180 -63.12 -40.0 96.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.396 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.49 -46.29 90.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.619 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.3 -46.35 90.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.11 -28.62 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.143 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 84.8 mt-30 -75.53 -24.35 56.77 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.418 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.443 ' O ' HD23 ' A' ' 210' ' ' LEU . 40.2 ttt180 -89.76 14.63 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.067 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.421 ' HB ' ' CD1' ' A' ' 211' ' ' LEU . 11.2 pt -131.09 -41.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.582 170.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.488 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 80.1 m-85 -103.36 29.25 5.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.847 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.15 -51.75 0.25 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.05 -30.39 66.54 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -136.52 38.64 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.914 0.387 . . . . 0.0 111.961 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.415 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -68.05 -31.18 70.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.98 85.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.827 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -38.24 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.47 -43.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.0 mm -60.72 -41.09 87.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.15 0.5 . . . . 0.0 110.053 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.24 -47.55 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.493 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.66 -46.93 93.19 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.707 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.53 HD21 HG11 ' B' ' 696' ' ' VAL . 82.9 mt -56.93 -45.99 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -85.59 17.97 3.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -137.97 -41.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.262 . . . . 0.0 111.307 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.26 92.56 12.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 0.0 110.306 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.44 -35.04 18.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.088 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 50.6 m -66.96 -13.29 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.98 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.507 HG22 HD23 ' A' ' 223' ' ' LEU . 42.0 mt -102.94 -58.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.027 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -72.14 -39.68 68.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.628 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 69.2 t -55.69 -54.65 49.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 119.221 -0.419 . . . . 0.0 112.079 -176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.621 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 73.3 Cg_exo -52.5 -46.15 35.11 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.203 1.935 . . . . 0.0 112.768 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.72 -55.02 19.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.194 0.521 . . . . 0.0 110.494 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.53 HG11 HD21 ' B' ' 685' ' ' LEU . 2.4 p -64.59 -34.17 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.742 -174.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.628 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 0.5 OUTLIER -70.2 -40.4 74.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.06 -40.03 87.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.429 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.488 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 34.1 mmt180 -64.12 -40.1 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.461 ' HG ' HD11 ' B' ' 631' ' ' ILE . 34.0 tp -69.48 -34.96 75.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.622 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 4.4 mptp? -69.43 -36.81 77.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.166 0.507 . . . . 0.0 110.334 175.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.77 -46.88 83.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.069 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.444 ' HE3' ' CD1' ' A' ' 211' ' ' LEU . 2.6 mptp? -70.38 -25.73 63.38 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.459 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 27.1 tt0 -57.61 -48.53 79.15 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 31.7 mt-10 -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.216 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.14 -51.84 67.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.385 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.748 ' HE1' ' HD2' ' A' ' 209' ' ' TYR . 9.9 m0 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.06 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' B' ' 712' ' ' ARG . 14.3 mmt180 -62.95 -41.84 99.64 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.052 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -71.41 -36.82 71.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 110.947 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.51 -50.2 70.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.048 0.451 . . . . 0.0 110.106 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.521 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 43.1 tt0 -64.7 -28.72 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.82 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.62 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 18.0 ttt180 -66.32 -47.77 72.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.331 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -73.4 -38.65 52.53 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.101 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . 0.404 ' HB3' ' OE1' ' B' ' 616' ' ' GLU . 31.1 m-85 -88.13 -64.96 1.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.798 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.521 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 34.9 t30 -74.7 -52.38 11.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.879 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.41 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 9.5 tmtt? . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' B' ' 710' ' ' ALA . 71.4 mt . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.117 0.484 . . . . 0.0 109.851 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.81 96.37 6.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.183 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.27 -40.39 11.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.563 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 40.4 mt -87.28 -169.12 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.227 -174.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.727 HD21 ' HD2' ' B' ' 703' ' ' LYS . 96.5 mt -134.58 144.5 47.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.5 m -61.97 148.4 43.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.07 -41.15 25.25 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.583 0.353 . . . . 0.0 111.707 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -60.11 -32.98 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.265 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.35 -47.15 68.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.873 HG21 ' HB3' ' B' ' 677' ' ' LYS . 4.6 mp -67.2 -39.81 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.347 0.594 . . . . 0.0 109.818 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 32.7 ttm -67.97 -33.69 75.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.256 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.73 -44.32 93.8 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 0.7 OUTLIER -57.21 -54.54 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.28 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.51 -41.92 70.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.594 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -65.01 -33.74 76.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 15.8 m -72.42 -44.78 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 68.6 mt -59.79 -26.96 66.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.025 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 10.6 t30 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.043 -174.346 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 34.3 tt0 . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.988 0.423 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' B' ' 620' ' ' LEU . 60.6 ttt-85 -63.43 -31.8 73.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.131 -176.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG23 ' B' ' 622' ' ' VAL . 76.6 t80 -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.186 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.408 ' O ' HG12 ' B' ' 623' ' ' VAL . 33.6 tt0 -69.04 -30.48 68.85 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.467 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 63.1 mt -60.75 -45.05 95.82 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.566 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.88 -45.59 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.1 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 618' ' ' PHE . 86.7 t -61.8 -49.94 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.751 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.408 HG12 ' O ' ' B' ' 619' ' ' GLU . 15.0 p -66.63 -39.91 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 121.312 -0.155 . . . . 0.0 111.362 -175.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.07 -48.68 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.293 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -60.01 -47.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.529 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.546 HG22 ' HB2' ' B' ' 669' ' ' ALA . 50.2 m -61.66 -38.13 86.58 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.352 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.592 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.2 t-20 -61.31 -56.88 15.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.72 177.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 3.5 mm? -55.05 -38.71 68.36 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.313 0.383 . . . . 0.0 111.666 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.02 82.87 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.332 0.587 . . . . 0.0 110.659 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.484 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.4 m -69.85 -34.98 74.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.095 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' B' ' 700' ' ' LEU . 44.2 mm -51.29 -58.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.368 . . . . 0.0 110.443 170.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 19.5 mmt180 -59.09 -44.08 91.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.802 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' B' ' 630' ' ' THR . 11.1 p -64.36 -45.67 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.909 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.581 HD23 HD12 ' B' ' 637' ' ' ILE . 47.5 mt -73.74 -33.08 64.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -176.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.558 ' HG2' HD21 ' B' ' 697' ' ' LEU . 64.2 mt-10 -64.85 -40.75 95.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 109.843 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.33 83.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.581 HD12 HD23 ' B' ' 634' ' ' LEU . 96.7 mt -59.52 -48.64 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.125 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.17 -41.52 88.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.538 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . 0.432 ' HB3' ' HE3' ' B' ' 639' ' ' LYS . 25.3 ttpp -59.23 -45.04 92.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.62 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -70.22 -43.74 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 93.9 mt -62.87 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.327 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 34.0 m 56.43 25.32 9.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.172 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 643' ' ' ARG . 34.7 mtt85 64.21 79.17 0.26 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.77 176.99 5.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.115 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 27.5 t -62.97 153.99 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.74 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.79 -39.56 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.61 -28.81 59.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.536 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 77.7 mt-30 -63.98 -34.29 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.681 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -82.53 -24.73 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.16 -61.04 1.99 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -96.25 104.34 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.642 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 39.3 ttp180 -123.41 154.08 39.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.155 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.431 HD11 HG23 ' B' ' 637' ' ' ILE . 1.8 mm? -84.5 31.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -169.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . 0.454 ' OD2' ' HB3' ' B' ' 653' ' ' ARG . 9.9 m-20 -61.93 -55.97 24.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -87.08 -1.97 58.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.4 m -93.25 -42.42 9.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.761 178.817 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.67 -38.34 89.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.204 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . 0.403 HG13 HG12 ' B' ' 665' ' ' ILE . 7.2 p -59.69 -36.55 66.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 CA-C-O 121.098 0.475 . . . . 0.0 110.625 177.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.511 HG23 HG23 ' B' ' 626' ' ' THR . 10.7 mm -71.83 -53.01 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.521 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -63.9 -36.28 83.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -71.85 -43.64 65.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.871 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -60.82 -43.93 97.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 110.774 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -64.34 -46.49 83.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 673' ' ' ILE . 0.6 OUTLIER -61.45 -39.48 90.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.195 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 45.0 mt-30 -72.45 -23.41 61.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.926 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 38.0 mtt180 -81.34 -29.61 34.08 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.518 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.591 HG13 ' CD2' ' B' ' 674' ' ' TYR . 21.2 pt -90.57 -39.49 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.671 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.591 ' CD2' HG13 ' B' ' 673' ' ' ILE . 96.6 m-85 -108.65 31.39 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.159 -0.338 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -32.12 -61.6 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -169.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.51 -1.91 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -171.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.873 ' HB3' HG21 ' A' ' 216' ' ' ILE . 49.9 tptt -153.31 29.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.601 0.715 . . . . 0.0 110.286 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.115 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.34 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.469 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . 0.449 ' HB2' ' HE3' ' B' ' 677' ' ' LYS . 12.1 t70 -68.71 -46.01 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.3 mm -68.23 -41.62 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.703 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.61 -39.93 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.365 0.602 . . . . 0.0 110.097 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . 0.696 ' OD2' ' HE2' ' B' ' 687' ' ' LYS . 20.3 t70 -71.85 -44.29 64.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.49 -39.09 96.84 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.919 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.474 HD21 HG21 ' B' ' 696' ' ' VAL . 83.9 mt -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.168 0.508 . . . . 0.0 110.854 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.642 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 83.0 mtp180 -92.41 11.66 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.032 -177.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.696 ' HE2' ' OD2' ' B' ' 683' ' ' ASP . 48.0 mttm -117.13 -55.42 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.491 174.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -129.42 85.73 58.19 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 37.2 Cg_endo -66.0 -35.43 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.578 2.185 . . . . 0.0 112.79 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.0 m -67.94 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.977 0.417 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 73.8 mt -97.97 -62.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.798 179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.491 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.24 -44.1 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 72.2 t -55.51 -49.35 93.1 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.535 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.0 Cg_exo -57.54 -34.37 97.94 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.621 1.547 . . . . 0.0 112.762 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.418 ' O ' ' HD3' ' B' ' 699' ' ' ARG . 49.8 mt -74.4 -48.01 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.57 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.1 m -65.74 -33.33 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' B' ' 635' ' ' GLU . 3.1 tm? -59.84 -42.87 94.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.93 -42.78 98.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.449 ' HG2' ' OH ' ' B' ' 674' ' ' TYR . 1.6 mpt_? -62.72 -48.57 78.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.854 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.647 ' HB3' HD13 ' B' ' 631' ' ' ILE . 2.9 mm? -59.0 -42.43 90.05 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.439 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.8 OUTLIER -64.11 -49.82 70.72 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -65.79 -35.72 81.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 110.862 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.727 ' HD2' HD21 ' A' ' 211' ' ' LEU . 28.9 mtpp -86.72 -17.62 33.2 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.96 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 25.9 tt0 -59.38 -49.48 77.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.79 -36.17 79.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.898 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' B' ' 703' ' ' LYS . 3.7 tp10 -58.06 -53.05 62.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -69.69 -31.86 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -60.38 -41.69 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.12 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.99 -44.22 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.464 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 207' ' ' LEU . . . -62.62 -45.36 93.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.189 177.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.18 -40.54 96.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.352 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.64 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 13.6 ttp180 -72.89 -26.14 61.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -75.89 -42.65 24.77 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.236 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -89.78 -64.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.933 0.396 . . . . 0.0 112.045 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.404 ' N ' HD22 ' B' ' 715' ' ' ASN . 0.9 OUTLIER -72.52 -41.9 65.36 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -169.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . 0.587 HD23 ' HB1' ' B' ' 710' ' ' ALA . 2.4 pp . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.331 0.586 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -152.3 175.72 12.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.588 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -120.09 -41.25 2.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.424 HD23 ' O ' ' B' ' 672' ' ' ARG . 67.0 mt -80.41 -173.4 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.645 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.447 HD23 HG12 ' A' ' 216' ' ' ILE . 21.4 tp -129.65 150.49 50.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 151.63 29.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -41.62 62.9 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.014 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -49.42 -56.27 10.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.822 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.24 -41.03 67.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.952 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.447 HG12 HD23 ' A' ' 211' ' ' LEU . 75.0 mt -57.33 -52.65 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 110.977 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.578 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 9.6 tpp -68.98 -32.25 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.693 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.19 -52.64 64.71 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.246 0.546 . . . . 0.0 109.885 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 80.6 m-20 -61.25 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.02 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 223' ' ' LEU . 4.8 mp -57.27 -44.82 84.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 217' ' ' MET . 69.3 mtm180 -62.17 -38.62 89.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 110.388 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . 0.491 HG22 HD11 ' B' ' 695' ' ' ILE . 28.1 m -71.59 -19.99 62.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.562 HD23 HD12 ' B' ' 695' ' ' ILE . 92.6 mt -78.5 -35.01 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 0.0 110.193 173.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 16.4 m120 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.05 -176.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' B' ' 619' ' ' GLU . 45.1 tt0 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.372 0.606 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' B' ' 715' ' ' ASN . 58.6 ttt-85 -65.23 -39.62 92.97 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.096 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . 0.417 ' O ' HG23 ' B' ' 622' ' ' VAL . 81.0 t80 -62.39 -40.81 97.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.731 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' B' ' 616' ' ' GLU . 8.5 tp10 -55.03 -41.97 72.05 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.458 175.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.48 ' O ' HD23 ' B' ' 624' ' ' LEU . 80.8 mt -66.01 -41.39 91.07 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 120.878 0.37 . . . . 0.0 110.748 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.51 -43.55 93.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.304 0.573 . . . . 0.0 110.253 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 618' ' ' PHE . 69.1 t -63.71 -50.62 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.455 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.489 ' HB ' HH11 ' B' ' 672' ' ' ARG . 9.9 p -61.87 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.889 -177.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.574 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 2.1 mm? -60.17 -53.07 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.057 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.7 -44.31 86.52 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.4 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.52 HG22 ' HB2' ' B' ' 669' ' ' ALA . 22.4 m -60.13 -41.75 93.35 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.308 0.575 . . . . 0.0 110.455 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.626 ' O ' HG12 ' B' ' 631' ' ' ILE . 8.1 t30 -65.43 -47.38 76.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.114 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.1 mm? -58.89 -39.07 80.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.7 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.66 92.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.298 0.571 . . . . 0.0 110.044 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 48.2 m -65.96 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.008 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.64 ' CD1' ' HB3' ' B' ' 700' ' ' LEU . 42.1 mm -54.72 -60.63 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 110.633 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 632' ' ' ARG . 22.6 mtm180 -58.77 -42.99 90.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.86 -173.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.671 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.1 p -67.18 -43.62 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.956 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 22.4 mt -72.12 -29.66 64.29 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.501 ' HG2' HD21 ' B' ' 697' ' ' LEU . 81.0 mt-10 -65.61 -38.1 88.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.81 87.48 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.626 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.671 HG12 ' O ' ' B' ' 633' ' ' VAL . 46.9 mm -60.52 -50.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.867 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.15 -27.81 66.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' B' ' 635' ' ' GLU . 79.0 tttt -61.99 -36.16 80.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.704 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -79.87 -49.44 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.044 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.0 -21.64 63.75 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.633 -175.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 9.8 p -9.93 76.26 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.85 1.66 . . . . 0.0 115.352 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 643' ' ' ARG . 14.5 mtm180 55.33 31.97 17.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.603 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.5 mt -64.51 151.45 44.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.722 0.296 . . . . 0.0 110.733 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 44.5 t -66.46 157.13 32.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.9 62.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.039 0.447 . . . . 0.0 110.763 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -61.53 -41.97 98.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.489 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.0 mt-10 -79.92 -21.68 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.16 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.621 ' HB3' ' HG2' ' B' ' 689' ' ' PRO . 75.7 mt-30 -71.65 -27.33 63.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.292 0.568 . . . . 0.0 109.787 175.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.22 -25.8 47.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.947 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.77 -59.22 2.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.944 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -104.92 99.82 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.556 ' HD2' ' OD1' ' B' ' 655' ' ' ASP . 7.7 ttm180 -131.69 165.15 24.37 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.524 HD11 HG21 ' B' ' 637' ' ' ILE . 3.2 mm? -71.44 0.39 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . 0.556 ' OD1' ' HD2' ' B' ' 653' ' ' ARG . 1.1 m-20 -55.61 -54.73 40.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.914 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -99.76 -7.42 25.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 10.2 m -95.85 -46.31 6.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.534 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 2.1 tt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 121.564 0.697 . . . . 0.0 109.339 -178.146 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.747 0.308 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -37.69 19.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.26 -45.62 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 15.4 pt -66.23 -34.71 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -81.91 -36.7 27.82 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.889 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 9.1 tpt180 -61.02 -47.01 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -59.94 -53.35 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.019 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.1 -41.97 93.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.481 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.92 -35.21 69.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.516 ' HG2' ' CB ' ' B' ' 678' ' ' ALA . 27.7 mt-30 -71.36 -23.57 61.93 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.189 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.489 HH11 ' HB ' ' B' ' 623' ' ' VAL . 21.5 ttm180 -63.53 -35.25 79.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.17 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 26.7 pt -98.17 -43.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.81 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -98.4 31.41 2.83 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.305 -0.247 . . . . 0.0 110.865 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -38.43 -49.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.24 -11.07 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' B' ' 680' ' ' ASP . 17.2 mmtp -142.77 31.12 1.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.196 -0.315 . . . . 0.0 111.697 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.516 ' CB ' ' HG2' ' B' ' 671' ' ' GLN . . . -61.71 -38.28 87.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.25 69.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.143 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . 0.562 ' HB2' ' HD2' ' B' ' 677' ' ' LYS . 7.8 t70 -80.91 -37.53 29.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 677' ' ' LYS . 42.2 mm -69.77 -47.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.214 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.56 -39.38 75.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 109.977 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.13 -46.69 89.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.074 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . 0.442 ' HA2' ' HE2' ' B' ' 687' ' ' LYS . . . -62.39 -41.69 99.75 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.74 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 681' ' ' ILE . 95.9 mt -57.47 -39.02 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.97 0.414 . . . . 0.0 111.261 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -95.91 17.33 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.011 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.442 ' HE2' ' HA2' ' B' ' 684' ' ' GLY . 34.0 ttpt -128.22 -53.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.419 ' HB3' HD12 ' B' ' 691' ' ' ILE . 19.1 m120 -125.6 79.22 67.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.938 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.621 ' HG2' ' HB3' ' B' ' 649' ' ' GLN . 34.0 Cg_exo -57.29 -48.44 17.72 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.079 2.519 . . . . 0.0 112.758 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 42.2 m -72.88 1.77 8.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' B' ' 688' ' ' ASN . 58.3 mt -112.43 -58.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.562 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -68.53 -47.69 66.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -173.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.547 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 97.9 t -57.01 -48.84 96.78 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.547 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.3 Cg_exo -54.54 -41.56 76.13 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 121.704 1.603 . . . . 0.0 112.328 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.562 HD12 HD23 ' A' ' 223' ' ' LEU . 76.9 mt -67.67 -54.69 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.114 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 692' ' ' ALA . 11.1 m -60.01 -34.83 57.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.501 HD21 ' HG2' ' B' ' 635' ' ' GLU . 2.0 tm? -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.41 -50.06 74.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -60.91 -37.49 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 -178.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.64 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 41.1 mt -68.74 -39.37 80.36 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.308 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.454 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.7 OUTLIER -60.98 -44.55 97.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.33 0.586 . . . . 0.0 110.022 174.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 9.3 ttt -53.16 -52.88 57.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.323 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -29.13 59.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -177.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -55.36 -55.98 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.102 0.477 . . . . 0.0 110.299 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.2 mt-10 -70.55 -35.96 73.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.709 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.52 -51.67 68.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.0 110.009 175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.574 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 6.0 m0 -68.24 -29.3 68.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.17 -43.41 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.86 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 47.9 mm-40 -62.06 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . 0.587 ' HB1' HD23 ' A' ' 207' ' ' LEU . . . -65.15 -51.42 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.296 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.541 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 15.5 tt0 -63.56 -34.81 78.62 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.651 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.699 ' HG3' ' HD3' ' B' ' 716' ' ' LYS . 46.5 ttm105 -63.06 -50.24 71.4 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.185 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -62.73 -46.28 94.0 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.201 -177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.4 -66.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.483 -0.422 . . . . 0.0 112.055 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.561 ' HA ' ' HE ' ' B' ' 617' ' ' ARG . 3.5 m-20 -67.86 -55.2 13.79 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.006 -171.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.699 ' HD3' ' HG3' ' B' ' 712' ' ' ARG . 64.4 tttp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 -176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 98.2 mt . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 120.896 0.379 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -87.33 -36.63 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 70.72 -62.46 0.44 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.464 0.706 . . . . 0.0 111.144 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.6 tp -84.54 161.22 20.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.728 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.555 ' HG ' HD11 ' A' ' 216' ' ' ILE . 0.4 OUTLIER -111.29 162.29 15.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -54.98 129.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.388 0.43 . . . . 0.0 111.777 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -53.56 -25.17 16.0 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.449 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.4 -40.32 82.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.8 -39.15 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.555 HD11 ' HG ' ' A' ' 211' ' ' LEU . 2.1 mp -57.4 -44.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.021 0.438 . . . . 0.0 109.866 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 67.3 mtt -61.7 -42.48 98.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -35.14 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 98.6 m-20 -63.83 -47.26 81.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 223' ' ' LEU . 10.0 mp -58.63 -41.29 85.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 221' ' ' ARG . 4.2 mmp_? -61.72 -46.59 89.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.442 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 86.8 m -61.05 -37.5 82.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.295 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -55.66 -36.66 67.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.274 0.559 . . . . 0.0 110.411 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 224' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.845 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.954 0.407 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -63.66 -52.16 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.61 -36.68 76.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.248 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.525 ' O ' HG12 ' B' ' 623' ' ' VAL . 9.3 tp10 -57.89 -46.8 84.37 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.023 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.487 ' O ' HD23 ' B' ' 624' ' ' LEU . 2.6 mm? -62.22 -51.96 65.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.39 -172.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.05 -44.46 96.64 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.271 0.558 . . . . 0.0 110.446 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.14 -46.39 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.9 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.525 HG12 ' O ' ' B' ' 619' ' ' GLU . 14.8 p -62.33 -38.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.753 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.556 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -61.5 -46.54 89.56 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.306 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.06 -42.99 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.004 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.574 HG23 ' HB ' ' B' ' 665' ' ' ILE . 35.2 m -60.6 -45.97 92.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.249 0.547 . . . . 0.0 110.422 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.541 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.35 -51.21 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.201 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.9 tt -64.56 -32.32 73.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.969 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.436 0.636 . . . . 0.0 109.847 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.537 HG22 HD23 ' B' ' 634' ' ' LEU . 24.6 m -67.57 -34.48 77.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.092 175.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.541 HG12 ' O ' ' B' ' 627' ' ' ASN . 47.0 mm -58.84 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 173.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 57.0 mtp180 -52.73 -56.69 13.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.1 p -65.82 -41.61 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.806 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.0 mm? -62.8 -46.36 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.359 -0.213 . . . . 0.0 111.508 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.92 -37.69 83.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.387 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.0 77.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.491 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.602 HG12 ' O ' ' B' ' 633' ' ' VAL . 33.3 mm -60.79 -50.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.038 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.4 -35.64 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.45 . . . . 0.0 110.791 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -72.44 -33.69 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.744 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -73.62 -44.19 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 96.4 mt -58.01 -35.88 71.89 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.908 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.6 p 43.62 32.59 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 61.24 33.91 18.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.116 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.732 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.9 mt -57.05 161.64 2.95 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.408 172.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 38.4 p -78.07 173.29 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.181 -0.207 . . . . 0.0 110.767 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.12 70.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' B' ' 647' ' ' GLU . 1.7 mp0 -60.48 -40.5 91.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.964 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.732 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 42.5 mt-10 -79.39 -28.26 41.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.159 -176.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.52 ' OE1' HD22 ' B' ' 641' ' ' LEU . 80.3 mm-40 -72.45 -24.7 61.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.223 0.535 . . . . 0.0 110.306 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.25 22.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.72 -57.3 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.244 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -103.42 100.47 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 15.8 ttp180 -126.44 149.61 49.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.702 -174.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.99 102.24 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.669 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -129.22 -64.18 0.91 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -100.6 -6.43 25.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.156 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -36.28 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.953 -175.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--O 1.236 0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 110.911 -177.745 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . 0.622 ' HB3' HD11 ' B' ' 665' ' ' ILE . 22.1 m . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.961 0.41 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -72.33 -50.69 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.59 -43.6 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.301 -175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.622 HD11 ' HB3' ' B' ' 662' ' ' SER . 46.9 pt -66.72 -34.02 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.183 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -69.7 -47.18 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.373 0.606 . . . . 0.0 109.719 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.21 -44.03 85.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -62.18 -40.93 97.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.256 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -63.28 -43.1 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.13 -44.32 92.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.914 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.424 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 27.6 mt-30 -66.54 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.78 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -76.04 -30.35 58.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.679 0.276 . . . . 0.0 111.086 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.459 HG13 ' CD2' ' B' ' 674' ' ' TYR . 47.8 pt -96.13 -20.28 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.281 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.474 ' CD1' HG13 ' B' ' 681' ' ' ILE . 53.9 m-85 -122.34 38.73 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -41.91 -35.58 0.88 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.66 -45.73 13.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -121.55 38.06 4.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.804 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -59.8 -45.7 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.4 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.3 71.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.625 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.34 -36.77 63.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.093 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.7 mm -76.8 -40.11 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.575 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 36.7 mm -56.39 -46.4 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 110.004 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.76 -37.49 76.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.72 -40.12 96.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.592 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.614 HD21 HG11 ' B' ' 696' ' ' VAL . 96.4 mt -62.29 -40.7 97.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.086 0.469 . . . . 0.0 110.494 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.541 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 55.6 mtp180 -84.32 -2.67 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.432 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -93.69 -62.92 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.5 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 6.5 m120 -138.81 92.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.498 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.48 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 30.4 Cg_endo -64.0 -26.0 66.41 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.846 2.364 . . . . 0.0 112.538 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 10.8 p -73.15 -11.92 60.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 0.0 111.285 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 66.6 mt -108.54 -59.42 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.161 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.68 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 72.3 t -56.49 -53.85 59.7 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -174.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 10.5 Cg_endo -55.84 -44.38 48.07 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.817 1.678 . . . . 0.0 112.453 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.06 -53.97 34.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.161 0.505 . . . . 0.0 110.861 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.614 HG11 HD21 ' B' ' 685' ' ' LEU . 2.0 p -64.57 -34.29 68.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.624 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.806 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 0.5 OUTLIER -64.06 -44.14 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.757 177.377 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 64.0 mttp -58.19 -44.0 87.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.711 0.291 . . . . 0.0 110.767 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.423 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 33.1 mmt180 -61.0 -40.45 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 56.9 mt -63.96 -45.62 88.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.374 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 14.0 mmmm -65.97 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.974 0.416 . . . . 0.0 110.587 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.12 -45.41 92.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.3 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 58.5 mmtt -72.23 -32.81 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.525 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.33 -42.84 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.84 -49.56 76.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.051 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.69 -50.29 73.68 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.134 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.556 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 7.5 m0 -66.98 -31.58 72.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -176.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -65.3 -44.34 88.21 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.624 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.1 -39.86 79.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.408 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -72.51 -47.55 47.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.209 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.403 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 58.8 tt0 -59.88 -40.28 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 39.8 ttp-105 -60.53 -53.21 60.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.478 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.76 -46.53 94.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.975 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -88.54 -64.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.29 -52.1 13.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -169.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 50.0 tptt . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.611 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.393 0.616 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -79.49 116.74 19.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.777 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.506 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 24.0 m-85 -74.28 -45.55 46.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 672' ' ' ARG . 3.8 mm? -74.56 166.85 22.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.185 -176.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 53.1 mt -91.9 160.56 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 167.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 20.4 p -69.09 131.42 44.97 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 217' ' ' MET . 13.5 t70 -55.86 -33.89 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.755 -175.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.75 -47.68 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.112 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -75.59 -26.19 57.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.529 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.32 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.243 0.544 . . . . 0.0 109.743 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.576 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 73.4 mtp -66.43 -37.39 85.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.077 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -54.87 -49.05 72.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 5.7 t70 -59.74 -52.04 67.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.3 -43.65 75.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.628 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 217' ' ' MET . 36.0 mmt180 -64.29 -41.52 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.428 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -33.26 73.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.23 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 90.6 mt -62.52 -34.02 76.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.489 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 54.7 t30 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.329 0.585 . . . . 0.0 110.226 178.051 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.231 0.098 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.545 ' HA ' HD12 ' B' ' 620' ' ' LEU . 31.9 ttm105 -58.67 -26.19 63.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.647 174.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -65.78 -43.42 88.85 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.36 -33.24 75.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.752 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' B' ' 617' ' ' ARG . 89.7 mt -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 178.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.26 0.552 . . . . 0.0 109.596 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.66 -47.66 92.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.607 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' B' ' 620' ' ' LEU . 9.0 p -66.83 -33.89 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.009 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.5 mm? -65.7 -39.1 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.114 175.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.43 -49.58 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.152 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.676 HG22 ' HB2' ' B' ' 669' ' ' ALA . 29.3 m -55.13 -43.52 74.21 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.594 0.711 . . . . 0.0 110.125 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.477 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.79 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.625 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.43 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.7 mm? -56.49 -40.79 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.48 85.56 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.365 0.602 . . . . 0.0 110.683 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.551 ' HA ' HG12 ' B' ' 633' ' ' VAL . 33.3 m -72.29 -31.65 65.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.853 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 627' ' ' ASN . 20.0 mm -57.04 -50.84 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.913 172.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 78.8 mtp180 -56.79 -52.34 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.602 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' B' ' 630' ' ' THR . 13.7 p -65.32 -43.04 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.686 -175.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.567 HD23 HD12 ' B' ' 637' ' ' ILE . 30.2 mt -68.41 -36.74 79.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.364 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.54 -40.03 95.96 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.308 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.44 98.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.071 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 81.3 mt -63.35 -53.6 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.817 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . 0.532 ' HG2' HG12 ' B' ' 693' ' ' VAL . 0.0 OUTLIER -56.23 -43.46 78.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -176.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -77.09 -24.72 51.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.388 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -75.46 -34.27 60.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.205 0.526 . . . . 0.0 109.864 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.8 mt -67.69 -62.82 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 40.5 m 55.18 39.13 31.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.86 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 643' ' ' ARG . 32.3 mtm180 68.77 85.94 0.14 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.448 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 54.5 mt -94.57 151.7 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.764 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 3.8 m -72.16 159.07 34.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . 0.622 ' HA ' HE21 ' B' ' 649' ' ' GLN . . . -57.13 -37.4 71.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.16 -41.99 97.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.227 0.536 . . . . 0.0 110.054 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.497 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 45.5 mt-10 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.622 HE21 ' HA ' ' B' ' 646' ' ' ALA . 47.7 mt-30 -67.39 -27.24 66.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.511 . . . . 0.0 110.386 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.0 57.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 36.7 ttpt -63.9 -60.94 2.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.952 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -107.21 103.63 13.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.986 0.422 . . . . 0.0 109.875 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -123.04 148.16 45.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.656 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.526 HD11 HG23 ' B' ' 637' ' ' ILE . 2.5 mm? -76.68 95.9 4.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.855 0.36 . . . . 0.0 111.569 -173.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.49 -38.94 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.27 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -105.6 -17.03 14.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.122 0.487 . . . . 0.0 111.372 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . 0.415 ' HB ' HD12 ' B' ' 654' ' ' LEU . 1.2 m -67.53 -26.38 66.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.049 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 10.2 mp . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.02 -179.624 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . 0.709 ' HB2' ' HB ' ' B' ' 665' ' ' ILE . 4.0 p . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.07 -48.34 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.12 -36.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.145 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' B' ' 662' ' ' SER . 67.5 mt -70.25 -44.58 77.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.083 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -69.23 -38.66 78.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 109.993 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -60.94 -54.92 39.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.001 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.66 -34.81 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.458 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.676 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -64.76 -47.31 78.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.928 0.394 . . . . 0.0 110.967 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.515 HD23 HD13 ' B' ' 682' ' ' ILE . 12.9 tp -68.28 -33.45 74.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.061 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.453 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 98.2 mt-30 -73.84 -23.86 59.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.396 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.545 ' O ' HD13 ' A' ' 210' ' ' LEU . 61.6 ttm-85 -80.2 -4.34 52.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.41 HG13 ' CD2' ' B' ' 674' ' ' TYR . 15.7 pt -121.87 -39.83 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.528 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.615 ' CD1' HG13 ' B' ' 681' ' ' ILE . 82.5 m-85 -105.34 23.0 14.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 119.412 -0.327 . . . . 0.0 111.847 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -30.92 -58.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -170.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -24.0 60.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -119.93 27.12 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -59.84 -46.72 88.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.462 -175.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.47 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 111.069 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.3 -41.9 55.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.615 HG13 ' CD1' ' B' ' 674' ' ' TYR . 27.8 mm -80.39 -30.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.229 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.515 HD13 HD23 ' B' ' 670' ' ' LEU . 27.5 mm -56.61 -39.99 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.516 0.674 . . . . 0.0 109.272 171.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -76.47 -27.77 56.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.95 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -54.85 -51.36 53.71 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.677 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.4 -24.15 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.778 0.323 . . . . 0.0 111.829 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -89.77 -45.36 9.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -57.12 -57.52 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.182 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.57 87.83 17.18 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.464 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 19.2 Cg_endo -59.53 -39.27 76.85 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.427 2.084 . . . . 0.0 112.656 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.6 m -77.45 1.15 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.344 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.45 ' O ' HG13 ' B' ' 695' ' ' ILE . 56.9 mt -112.48 -56.07 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.222 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -71.72 -51.76 21.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' B' ' 638' ' ' GLN . 84.6 t -49.18 -50.89 61.15 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -173.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.8 Cg_endo -57.29 -46.8 25.68 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.008 1.805 . . . . 0.0 112.975 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.52 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.5 mt -68.29 -53.21 30.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.25 -43.35 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.956 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' B' ' 634' ' ' LEU . 51.4 tp -65.57 -37.56 87.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.735 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.47 -39.41 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.664 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 36.5 mmt180 -63.53 -37.15 86.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.182 0.515 . . . . 0.0 109.633 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.459 HD22 HD12 ' B' ' 634' ' ' LEU . 45.0 tp -71.96 -29.04 63.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.813 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 64.2 mmtt -73.29 -34.84 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.082 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 57.1 ttp -66.84 -41.32 87.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.335 0.588 . . . . 0.0 109.503 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.65 -35.44 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 27.2 tt0 -53.38 -52.47 59.17 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 109.988 175.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.6 tt0 -54.55 -54.43 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.543 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -56.27 -52.91 62.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.506 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 7.3 m0 -59.94 -41.34 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -70.1 -30.02 67.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -178.35 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 43.4 mm-40 -69.6 -38.22 77.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' B' ' 714' ' ' PHE . . . -67.53 -39.68 85.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.224 0.535 . . . . 0.0 109.792 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 34.3 tt0 -60.09 -36.23 76.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.3 ttm-85 -55.45 -46.17 76.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.7 -37.07 31.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.193 -175.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . 0.438 ' HD2' ' O ' ' B' ' 710' ' ' ALA . 93.8 m-85 -88.76 -61.64 1.66 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.01 0.405 . . . . 0.0 112.081 -177.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.502 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 25.3 t-20 -65.6 -55.02 19.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.503 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 26.7 ttpp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.317 -175.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.7 pt? . . . . . 0 N--CA 1.451 -0.425 0 CA-C-O 120.746 0.307 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -88.32 137.43 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -73.63 -21.07 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.794 0.331 . . . . 0.0 111.187 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' B' ' 673' ' ' ILE . 6.7 mp -84.5 171.77 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.127 0.489 . . . . 0.0 111.624 -176.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.535 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 62.9 mt -100.75 -169.0 1.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.206 174.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . 0.482 ' O ' HG13 ' A' ' 216' ' ' ILE . 21.6 p -104.18 138.98 39.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 172.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.85 -38.08 69.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.616 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -57.77 -45.21 86.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.25 -32.47 70.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.323 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.637 HG21 ' HB2' ' B' ' 677' ' ' LYS . 60.8 mt -65.23 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.405 0.622 . . . . 0.0 109.98 175.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.662 ' SD ' ' HE2' ' B' ' 677' ' ' LYS . 87.9 mmm -65.67 -38.78 90.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.606 177.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.3 -40.45 94.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 9.2 t70 -56.48 -55.08 38.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.589 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' B' ' 680' ' ' ASP . 96.0 mt -55.92 -44.89 78.75 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.753 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -59.03 -46.14 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.395 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 87.8 m -63.7 -41.08 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.641 HD23 HD12 ' B' ' 695' ' ' ILE . 89.4 mt -53.99 -38.42 65.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.921 0.391 . . . . 0.0 111.395 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.744 -174.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 2.2 tp10 . . . . . 0 CA--C 1.514 -0.41 0 CA-C-O 121.524 0.678 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' B' ' 620' ' ' LEU . 0.1 OUTLIER -64.25 -38.56 91.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.999 179.007 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 622' ' ' VAL . 80.1 t80 -59.91 -45.47 92.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.629 ' O ' HG23 ' B' ' 623' ' ' VAL . 42.3 tt0 -62.48 -38.63 90.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.23 177.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 624' ' ' LEU . 93.7 mt -57.7 -46.1 84.81 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.59 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . 0.454 ' HA ' ' NE2' ' B' ' 711' ' ' GLN . 1.9 m-20 -63.8 -40.94 97.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.945 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 618' ' ' PHE . 96.4 t -60.41 -46.52 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 619' ' ' GLU . 84.5 t -56.1 -57.02 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 620' ' ' LEU . 4.4 mm? -58.03 -47.4 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.571 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.89 -46.98 82.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.557 HG22 ' HB2' ' B' ' 669' ' ' ALA . 28.4 m -62.11 -35.08 77.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.297 0.57 . . . . 0.0 109.999 178.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.453 HD22 HD22 ' B' ' 628' ' ' LEU . 6.5 t30 -62.05 -53.52 54.38 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.09 175.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.453 HD22 HD22 ' B' ' 627' ' ' ASN . 3.6 mm? -56.47 -39.8 73.8 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.445 0.466 . . . . 0.0 111.52 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.2 89.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 110.366 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 41.9 m -68.46 -39.26 81.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.064 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.56 HD11 ' HG ' ' B' ' 700' ' ' LEU . 32.0 mm -58.78 -55.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.482 174.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 632' ' ' ARG . 27.4 mtm180 -56.05 -46.03 79.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.965 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.487 ' O ' HG13 ' B' ' 637' ' ' ILE . 11.6 p -68.58 -44.28 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.221 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.601 HD23 HD12 ' B' ' 637' ' ' ILE . 46.2 mt -67.6 -35.7 79.46 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.265 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.96 -44.43 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.722 0.296 . . . . 0.0 110.229 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.253 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.612 HG21 HD21 ' B' ' 654' ' ' LEU . 95.2 mt -66.17 -52.48 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.178 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -57.55 -46.83 83.44 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.345 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -72.44 -24.24 61.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.766 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -76.14 -40.2 53.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.087 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.0 mt -59.06 -58.81 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 11.8 p 47.19 41.93 12.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.343 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . 0.642 ' HA ' ' OG ' ' B' ' 690' ' ' SER . 71.8 mtp180 65.8 93.71 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.565 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.617 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 78.8 mt -97.6 153.64 18.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.073 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.4 m -80.77 173.96 12.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.736 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.82 79.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 0.0 111.616 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.01 -38.48 86.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.4 mt-10 -68.73 -34.16 75.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.2 mt-30 -72.57 -23.05 60.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.001 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.09 -38.86 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.92 -59.29 3.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.128 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -110.69 105.29 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.702 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 28.4 ttm180 -130.03 160.11 34.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.719 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.612 HD21 HG21 ' B' ' 637' ' ' ILE . 87.2 mt -73.53 83.68 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.268 0.556 . . . . 0.0 111.408 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.72 -74.73 0.62 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.687 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.67 -28.07 19.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.1 m -66.3 -32.06 73.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.372 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.478 HD22 HD13 ' B' ' 654' ' ' LEU . 52.4 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.093 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 120.771 0.32 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -55.53 -60.27 3.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.074 -177.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.01 -37.16 33.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.612 0.57 . . . . 0.0 111.857 -173.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.54 -51.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.069 0.462 . . . . 0.0 111.0 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -82.32 -32.23 29.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 110.155 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -59.21 -51.07 71.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.443 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -69.07 -41.79 77.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -61.04 -42.17 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 17.0 tp -69.71 -37.12 76.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.32 -23.7 64.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.374 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 210' ' ' LEU . 41.3 ttm180 -60.42 -28.54 68.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.644 0.259 . . . . 0.0 111.01 177.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.535 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.1 pt -110.24 -41.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.412 ' CD1' HG23 ' A' ' 216' ' ' ILE . 22.7 m-85 -100.04 27.65 5.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.459 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.93 0.35 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.11 -36.87 72.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.662 ' HE2' ' SD ' ' A' ' 217' ' ' MET . 46.7 mmtm -114.77 26.74 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.366 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.94 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.701 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . 0.445 ' HB3' ' CD2' ' A' ' 220' ' ' LEU . 4.2 m-20 -77.9 -41.57 36.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.776 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 50.5 mm -65.1 -47.01 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.063 0.458 . . . . 0.0 110.231 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.84 -38.8 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.68 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' B' ' 687' ' ' LYS . 17.2 t70 -56.58 -50.16 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.188 172.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.74 99.75 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.368 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.695 HD21 HG21 ' B' ' 696' ' ' VAL . 72.1 mt -56.77 -45.41 82.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 0.0 111.126 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.515 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 65.4 mtp180 -91.93 17.11 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 -177.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 683' ' ' ASP . 2.7 tppp? -116.82 -57.87 2.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -133.8 82.64 49.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.937 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.44 -27.74 54.48 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.184 1.923 . . . . 0.0 112.154 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . 0.642 ' OG ' ' HA ' ' B' ' 643' ' ' ARG . 11.5 t -74.86 -6.13 47.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.237 0.541 . . . . 0.0 110.434 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 68.3 mt -111.54 -53.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.01 176.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -68.83 -51.06 44.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.622 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.544 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 90.8 t -53.94 -49.3 90.39 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.544 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.3 Cg_exo -55.77 -41.19 79.96 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.697 1.598 . . . . 0.0 112.604 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.641 HD12 HD23 ' A' ' 223' ' ' LEU . 51.4 mt -71.09 -50.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.778 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.695 HG21 HD21 ' B' ' 685' ' ' LEU . 17.9 m -64.19 -35.08 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.87 -36.04 81.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.37 -44.19 92.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.196 0.522 . . . . 0.0 109.759 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -46.84 86.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.059 175.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' B' ' 631' ' ' ILE . 27.0 tp -66.07 -36.44 83.22 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.194 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.68 -42.29 91.45 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.094 0.474 . . . . 0.0 110.411 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -59.84 -46.52 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.097 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -71.43 -32.63 68.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.91 -51.23 70.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 44.0 mt-10 -61.03 -39.05 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.448 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.0 -54.38 47.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.827 0.346 . . . . 0.0 110.115 177.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -61.01 -44.23 97.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.754 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -65.18 -42.21 93.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 25.2 mt-10 -66.47 -37.49 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.468 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' B' ' 621' ' ' ASP . 37.7 tt0 -63.98 -34.2 77.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.573 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.51 -42.79 99.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -67.98 -35.27 83.86 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.067 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -88.67 -64.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.923 0.362 . . . . 0.0 111.74 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -70.12 -56.08 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.314 -172.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 21.2 tptm . . . . . 0 C--N 1.327 -0.398 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.073 -173.546 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 N--CA 1.446 -0.662 0 CA-C-O 121.051 0.453 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.86 -27.25 40.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.176 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.7 ' HB3' ' HD2' ' B' ' 672' ' ' ARG . 85.2 m-85 69.74 -62.36 0.42 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 18.8 tp -62.7 156.83 22.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.786 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 211' ' ' LEU . 4.2 mm? -81.99 164.82 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 171.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . 0.43 ' O ' HG13 ' A' ' 216' ' ' ILE . 24.6 p -68.1 147.4 52.38 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.009 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.14 -38.58 58.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.43 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.58 -36.91 81.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.267 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -77.1 -31.01 55.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.595 0.236 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.482 HG12 ' HD1' ' B' ' 674' ' ' TYR . 75.1 mt -59.67 -50.32 80.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.588 0.709 . . . . 0.0 109.719 174.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 40.6 ttm -68.41 -28.11 66.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.637 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.46 -49.88 76.07 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 13.0 m-20 -63.11 -46.36 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.479 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.74 -36.53 79.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.936 0.398 . . . . 0.0 110.325 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.72 -34.02 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.17 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 88.4 m -62.51 -41.02 98.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.174 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 71.4 mt -61.9 -36.86 82.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.274 0.559 . . . . 0.0 110.046 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.673 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 N--CA 1.448 -0.571 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -51.46 -46.19 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.577 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.12 -42.49 94.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.798 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . 0.405 ' O ' HG12 ' B' ' 623' ' ' VAL . 17.7 tt0 -67.11 -33.67 75.95 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.264 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.65 -49.47 66.1 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.649 0.261 . . . . 0.0 110.574 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.24 -39.63 87.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.277 . . . . 0.0 111.134 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.26 -51.54 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.436 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.414 HG13 HD22 ' B' ' 624' ' ' LEU . 14.2 p -64.34 -39.4 85.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.8 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.0 mm? -64.51 -45.46 87.15 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.042 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.64 -50.8 67.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.768 0.318 . . . . 0.0 110.72 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . . . . . . . . . 20.3 m -57.58 -43.24 84.41 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.441 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.429 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.3 t30 -63.65 -49.6 72.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.925 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.14 -38.66 80.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.11 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 110.204 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 35.2 m -66.07 -39.52 90.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.901 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.584 HD11 ' HG ' ' B' ' 700' ' ' LEU . 29.7 mm -57.46 -55.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.72 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -59.24 -42.86 92.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.819 -175.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.528 ' O ' HG13 ' B' ' 637' ' ' ILE . 14.8 p -70.32 -42.0 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.884 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.592 HD23 HD12 ' B' ' 637' ' ' ILE . 38.5 mt -68.29 -38.87 82.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.312 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.58 ' HG2' HD21 ' B' ' 697' ' ' LEU . 2.2 mt-10 -66.78 -34.09 77.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.617 0.246 . . . . 0.0 110.422 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.75 86.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 109.935 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.592 HD12 HD23 ' B' ' 634' ' ' LEU . 96.8 mt -60.33 -51.98 66.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.669 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . 0.442 HE22 ' HG3' ' B' ' 694' ' ' PRO . 6.2 tp60 -59.52 -37.27 77.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.866 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -64.77 -34.69 78.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.62 -30.04 33.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 76.1 mt -70.55 -68.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.793 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.8 t 62.24 18.24 9.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.645 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . 0.499 ' HA ' ' HB3' ' B' ' 690' ' ' SER . 56.6 mtt85 71.62 92.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.997 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 88.9 mt -101.59 174.34 6.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.0 m -79.88 169.65 17.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.089 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.8 82.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.038 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.31 -40.72 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.971 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.8 mt-10 -79.8 -29.36 40.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -176.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -73.86 -33.6 64.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.7 -21.85 57.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.354 0.597 . . . . 0.0 109.777 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.08 -61.08 2.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.795 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -105.34 88.74 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.448 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' B' ' 686' ' ' ARG . 44.7 ttp180 -107.25 152.16 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.76 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.528 HD21 HG23 ' B' ' 637' ' ' ILE . 52.3 mt -80.51 97.11 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -107.35 -84.07 0.53 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.232 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -74.84 -17.29 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 3.3 m -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.171 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.9 tt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.383 -178.372 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 13.4 m . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 120.923 0.392 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.36 -27.8 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.07 -48.02 79.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.54 -36.45 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.727 0.299 . . . . 0.0 111.034 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . 0.45 ' NE2' HG11 ' B' ' 633' ' ' VAL . 74.0 m80 -65.82 -54.04 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.49 -176.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 36.1 ttp180 -71.23 -39.39 71.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.53 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.8 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.52 86.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 0.0 110.536 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 670' ' ' LEU . 0.2 OUTLIER -64.67 -38.25 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 110.014 177.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 93.8 mt-30 -72.97 -24.24 60.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.813 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.7 ' HD2' ' HB3' ' A' ' 209' ' ' TYR . 17.6 tpp180 -67.67 -28.06 67.37 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.578 177.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.62 -30.62 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.482 ' HD1' HG12 ' A' ' 216' ' ' ILE . 42.3 m-85 -137.97 52.44 1.86 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.377 0.132 . . . . 0.0 111.173 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -39.79 -54.65 2.08 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.49 -3.13 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.555 ' O ' HG12 ' B' ' 681' ' ' ILE . 7.5 tppt? -141.62 14.31 2.14 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.567 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.5 88.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.43 78.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.859 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.44 -35.62 79.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.298 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 677' ' ' LYS . 41.1 mm -73.16 -37.7 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.624 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.51 -39.97 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.755 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.24 -40.69 98.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.44 -45.59 94.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.115 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.682 HD21 HG11 ' B' ' 696' ' ' VAL . 95.8 mt -59.41 -40.99 88.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.985 0.421 . . . . 0.0 110.765 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.528 ' O ' ' HG3' ' B' ' 653' ' ' ARG . 1.0 OUTLIER -65.46 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -77.46 -25.78 50.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.646 -168.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.432 ' HB3' HD12 ' B' ' 691' ' ' ILE . 10.4 m120 -130.92 62.68 66.88 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 122.339 -0.225 . . . . 0.0 110.892 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.458 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 32.9 Cg_endo -63.67 -37.93 43.69 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.056 1.837 . . . . 0.0 112.689 -173.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . 0.499 ' HB3' ' HA ' ' B' ' 643' ' ' ARG . 50.9 m -74.84 -2.69 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.858 -0.526 . . . . 0.0 111.107 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' B' ' 688' ' ' ASN . 42.3 mt -106.19 -62.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.013 177.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.46 -39.26 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.623 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 64.4 t -54.46 -55.23 39.71 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.623 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -53.77 -46.81 30.94 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.101 1.867 . . . . 0.0 112.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.8 -50.91 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.682 HG11 HD21 ' B' ' 685' ' ' LEU . 0.8 OUTLIER -65.83 -34.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -176.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.58 HD21 ' HG2' ' B' ' 635' ' ' GLU . 59.0 tp -68.32 -37.0 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.205 177.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.81 -45.26 95.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.434 ' HG3' ' OD2' ' A' ' 219' ' ' ASP . 35.7 mmt180 -65.7 -40.33 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.553 178.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' B' ' 631' ' ' ILE . 31.3 tp -71.43 -33.34 69.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.076 -175.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' B' ' 701' ' ' LYS . 7.7 tptm -70.39 -38.11 74.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.803 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 51.0 ttp -61.62 -45.04 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.076 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.484 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 53.8 mmtt -68.18 -36.36 79.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.245 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.416 ' HG3' HG13 ' B' ' 631' ' ' ILE . 2.8 tm-20 -55.89 -44.6 78.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.78 -47.36 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.372 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.51 -49.15 77.24 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.484 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 6.7 m0 -64.26 -39.28 93.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -35.14 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.982 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.03 -32.8 69.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.4 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.55 -44.74 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -63.1 -35.04 78.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.985 0.421 . . . . 0.0 110.016 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 60.2 ttp180 -65.23 -39.8 93.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.759 174.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -61.82 -45.99 95.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.765 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -88.62 -66.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.954 0.377 . . . . 0.0 111.773 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.29 -53.53 42.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 111.865 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 58.3 tptt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.242 -175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.452 -0.374 0 CA-C-O 121.333 0.587 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.56 -40.61 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.584 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.519 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 49.9 m-85 68.53 -59.85 0.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.577 0.751 . . . . 0.0 111.655 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 34.8 tp -68.56 163.65 23.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.121 0.568 . . . . 0.0 111.013 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' B' ' 673' ' ' ILE . 5.5 mt -91.63 139.14 30.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.81 0.338 . . . . 0.0 110.1 173.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.6 m -62.96 137.54 58.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.805 174.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.9 -22.33 47.88 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.754 0.312 . . . . 0.0 111.034 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.71 -55.3 27.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -68.16 -37.66 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.637 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.55 -52.95 55.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.997 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.37 -32.53 73.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.421 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.06 -46.99 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.074 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.23 -50.85 71.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.1 mp -54.82 -46.54 74.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.106 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.66 -37.99 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.7 m -64.01 -46.46 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.744 0.307 . . . . 0.0 110.355 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.83 -31.89 72.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.374 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 13.2 m120 . . . . . 0 C--N 1.325 -0.464 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.767 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 8.1 tp10 . . . . . 0 N--CA 1.455 -0.204 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -59.76 -36.76 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.365 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.34 -48.16 81.43 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.68 -32.56 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.495 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 92.5 mt -65.62 -44.4 86.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.988 0.423 . . . . 0.0 110.481 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.46 -49.48 77.62 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.104 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.0 -50.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.868 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.7 p -62.82 -40.68 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -63.64 -45.79 88.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.453 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.607 HG22 ' HB2' ' B' ' 669' ' ' ALA . 10.7 m -66.79 -39.47 87.78 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.304 0.574 . . . . 0.0 110.188 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.499 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -58.61 -52.14 66.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.365 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -40.77 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.236 -177.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.56 88.6 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 24.1 m -69.34 -37.25 77.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.511 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.499 HG12 ' O ' ' B' ' 627' ' ' ASN . 32.8 mm -58.58 -50.16 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.173 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -56.23 -50.83 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.604 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.9 p -65.29 -41.7 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.499 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' B' ' 697' ' ' LEU . 32.6 mt -70.04 -38.09 75.76 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.494 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -59.04 -43.26 91.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.96 0.409 . . . . 0.0 110.586 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.604 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.8 mm -65.35 -46.21 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.914 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -55.45 -48.2 74.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -63.38 -37.84 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.416 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . 0.499 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 26.3 tttp -73.64 -37.28 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 68.1 mt -69.55 -55.22 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p 50.51 30.01 4.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.163 0.585 . . . . 0.0 111.232 -175.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 62.42 91.85 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.655 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 85.5 mt -94.82 174.01 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.626 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 54.0 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.094 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.27 -49.85 66.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.12 -29.98 71.07 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.655 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.655 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.1 mt-10 -79.43 -34.47 41.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 645' ' ' SER . 78.1 mt-30 -66.65 -32.13 73.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.227 0.537 . . . . 0.0 110.354 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.47 57.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.47 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -73.27 -50.68 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.672 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.499 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 77.8 t80 -102.01 102.19 12.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.212 0.53 . . . . 0.0 110.132 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 12.2 ttp180 -126.16 157.3 38.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.529 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.707 HD12 HD13 ' B' ' 658' ' ' LEU . 1.9 mm? -72.05 91.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -123.08 -57.66 1.68 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -87.95 -50.32 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.9 m -56.59 -50.55 71.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.707 HD13 HD12 ' B' ' 654' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.236 0.393 0 CA-C-O 120.865 0.364 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' B' ' 664' ' ' VAL . 8.5 pt-20 -63.02 -44.29 96.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' B' ' 663' ' ' GLU . 8.4 p -66.8 -33.73 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.659 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.19 -57.45 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.217 0.532 . . . . 0.0 110.641 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -70.11 -36.26 74.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.034 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 70.9 ttt180 -62.88 -52.68 62.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.491 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.5 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.057 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.607 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.37 -42.18 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.458 . . . . 0.0 110.511 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.518 HD12 HD11 ' B' ' 673' ' ' ILE . 21.7 tp -72.75 -32.14 65.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.186 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 56.7 mt-30 -68.55 -25.8 65.1 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.575 0.226 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.561 HG21 ' HG2' ' B' ' 703' ' ' LYS . 31.5 pt -100.36 -38.23 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.314 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.499 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 32.0 m-85 -101.25 28.2 5.59 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.34 -34.73 2.07 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.97 -36.19 64.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -136.91 34.5 2.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 111.078 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.19 86.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.84 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -79.68 -47.6 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.796 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.75 -40.22 87.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.582 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.36 -40.03 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.11 -39.62 90.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.315 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.0 92.7 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.195 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.575 HD21 HG11 ' B' ' 696' ' ' VAL . 95.2 mt -62.56 -38.21 89.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.6 177.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.515 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 13.8 tpt180 -81.62 13.6 3.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.925 -175.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -142.9 -48.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.273 -0.267 . . . . 0.0 111.557 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -128.03 85.67 60.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.43 . . . . 0.0 110.429 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.439 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 24.7 Cg_endo -61.1 -54.1 2.07 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.712 2.274 . . . . 0.0 112.815 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . 0.453 ' HB3' ' CD ' ' B' ' 649' ' ' GLN . 23.1 t -69.73 -2.83 12.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -172.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 62.7 mt -100.29 -56.09 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.23 40.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 50.8 t -54.36 -56.15 29.61 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.3 Cg_endo -55.31 -45.57 39.18 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.892 1.728 . . . . 0.0 112.613 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.628 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 18.4 mt -66.96 -54.84 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -177.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.575 HG11 HD21 ' B' ' 685' ' ' LEU . 3.1 p -62.5 -35.44 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.851 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 634' ' ' LEU . 53.3 tp -63.65 -41.79 98.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.528 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.14 -36.28 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.905 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 28.0 mmt180 -62.59 -46.63 87.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.509 0.671 . . . . 0.0 109.531 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.12 -29.79 68.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.382 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 697' ' ' LEU . 7.9 tptm -69.21 -45.58 69.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -70.43 -31.55 68.77 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.561 ' HG2' HG21 ' B' ' 673' ' ' ILE . 7.8 tptp -68.62 -35.99 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.93 -46.49 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.173 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.34 -33.61 75.03 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -69.43 -44.38 71.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.899 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.519 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 4.6 m0 -64.27 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.613 0.244 . . . . 0.0 110.602 176.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' B' ' 712' ' ' ARG . 20.9 mmt180 -60.0 -44.46 94.52 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.501 172.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.63 -43.57 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.65 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.698 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.18 -39.56 93.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 67.0 mtt180 -61.97 -46.85 87.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.544 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.58 78.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.227 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -89.1 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -67.31 -52.72 37.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.957 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 64.9 tttp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.901 0.381 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -97.79 -37.08 10.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.721 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 43.1 m-85 69.76 -57.92 0.54 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.901 0.751 . . . . 0.0 111.972 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 672' ' ' ARG . 45.3 mt -75.06 -172.95 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 112.054 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.43 ' HB2' HD11 ' A' ' 216' ' ' ILE . 82.0 mt -126.22 151.52 47.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.219 173.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 63.4 m -68.93 149.58 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.04 -40.99 24.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.021 0.528 . . . . 0.0 112.026 -177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -54.56 -48.11 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.72 -36.59 82.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . 0.43 HD11 ' HB2' ' A' ' 211' ' ' LEU . 44.1 mm -62.15 -56.92 14.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 26.4 tpp -66.62 -30.48 70.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.482 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.49 -46.06 80.68 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.978 174.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.657 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 2.2 t70 -59.35 -53.46 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.496 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.82 -50.12 61.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.665 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.02 -36.04 83.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 74.3 m -71.32 -35.3 71.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.846 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.6 mt -61.4 -36.32 79.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.284 0.564 . . . . 0.0 110.592 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 49.1 t30 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.821 179.313 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 121.269 0.557 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -66.17 -33.72 76.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.153 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -62.16 -40.81 97.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.24 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.18 -40.83 98.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.962 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.434 ' HA ' HG12 ' B' ' 623' ' ' VAL . 92.7 mt -60.73 -45.43 94.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.989 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -65.07 -38.58 91.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.89 -46.7 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.209 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.6 p -68.1 -37.01 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.993 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -67.28 -40.98 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 177.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.518 HG22 ' HB2' ' B' ' 669' ' ' ALA . 15.6 m -63.63 -33.3 75.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.4 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.567 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -60.36 -56.41 21.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 175.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.86 -40.73 85.17 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.415 0.447 . . . . 0.0 110.529 -178.02 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.21 90.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.222 0.534 . . . . 0.0 110.723 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.491 HG22 HD23 ' B' ' 634' ' ' LEU . 28.3 m -70.29 -34.29 72.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.376 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.567 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.6 mm -58.04 -48.2 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 63.0 mtt180 -55.26 -54.76 39.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.226 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.5 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.1 p -66.05 -38.12 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.345 -177.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 0.956 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.3 mm? -63.84 -47.85 79.13 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.527 -0.108 . . . . 0.0 111.245 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -59.14 -37.34 77.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.19 66.73 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.5 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.9 mm -63.31 -46.78 94.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.64 -42.43 78.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.264 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -71.45 -40.07 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 40.7 tttm -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 70.2 mt -73.83 -70.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.768 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.4 m 50.28 40.92 23.54 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.029 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 61.51 92.24 0.05 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.321 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.767 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.3 mt -91.2 154.2 19.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.08 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 7.7 m -67.77 168.57 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -49.92 -53.16 27.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.139 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.767 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 46.2 mt-10 -71.21 -42.23 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -176.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' B' ' 689' ' ' PRO . 11.8 pt20 -79.28 -21.91 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.79 58.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.636 170.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.73 -51.89 11.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.981 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 58.6 t80 -102.23 98.51 8.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.614 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.4 ttp180 -116.14 148.84 39.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.447 -177.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . 0.469 HD23 HD21 ' B' ' 658' ' ' LEU . 6.6 mp -78.66 141.16 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.964 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . 0.432 ' H ' HG22 ' B' ' 657' ' ' THR . 44.3 t0 -172.99 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -94.22 -9.65 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . 0.432 HG22 ' H ' ' B' ' 655' ' ' ASP . 8.8 t -70.52 -3.57 18.58 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.787 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.469 HD21 HD23 ' B' ' 654' ' ' LEU . 97.6 mt . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.588 176.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . 0.422 ' HB3' HD11 ' B' ' 665' ' ' ILE . 6.6 m . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.668 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.0 -41.91 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.832 -174.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' B' ' 662' ' ' SER . 19.3 pt -66.12 -45.36 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.477 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.03 -45.8 76.39 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.945 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.821 ' HG3' HG12 ' B' ' 682' ' ' ILE . 43.6 ttm180 -58.92 -51.58 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.312 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' B' ' 672' ' ' ARG . 27.5 ttpt -62.4 -36.25 81.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.421 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . 0.518 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.86 -43.44 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.829 0.347 . . . . 0.0 110.438 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 24.7 tp -71.9 -27.34 62.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.341 0.591 . . . . 0.0 110.265 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.708 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 93.0 mt-30 -72.82 -23.87 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.493 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.554 ' O ' HD23 ' A' ' 210' ' ' LEU . 52.9 mtp180 -73.41 -6.65 47.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.621 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.752 HG21 ' HG3' ' B' ' 703' ' ' LYS . 35.0 pt -115.63 -35.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.646 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.74 32.19 4.03 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.683 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.89 -58.49 0.52 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -63.48 -42.62 98.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' B' ' 677' ' ' LYS . 64.9 mmtt -109.53 31.05 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 0.0 111.294 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . 0.708 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -56.94 -35.39 69.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.535 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.77 83.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.23 -41.24 67.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . 0.404 HG12 ' O ' ' B' ' 677' ' ' LYS . 44.6 mm -63.87 -46.49 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.938 0.399 . . . . 0.0 110.712 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . 0.821 HG12 ' HG3' ' B' ' 667' ' ' ARG . 1.8 mp -66.02 -36.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.059 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.71 -41.7 98.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 175.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.39 -37.88 95.52 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.505 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.86 HD21 HG21 ' B' ' 696' ' ' VAL . 93.8 mt -59.71 -38.03 80.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.442 0.639 . . . . 0.0 110.713 175.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.572 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 37.4 mtp-105 -88.77 18.57 4.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.548 -176.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 32.7 ttmt -140.18 -57.7 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 -175.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . 0.44 HD22 HD12 ' B' ' 691' ' ' ILE . 8.0 m-20 -121.15 80.18 35.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.353 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' B' ' 649' ' ' GLN . 56.6 Cg_endo -71.11 -36.13 7.79 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.65 2.233 . . . . 0.0 113.075 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 33.6 m -73.36 -0.95 16.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . 0.44 HD12 HD22 ' B' ' 688' ' ' ASN . 81.0 mt -117.3 -57.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.455 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -72.55 -45.61 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -173.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' B' ' 696' ' ' VAL . 74.7 t -54.35 -50.51 84.57 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -174.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 80.8 Cg_exo -51.77 -45.54 37.61 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.623 1.549 . . . . 0.0 112.545 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 223' ' ' LEU . 19.4 mt -70.33 -48.68 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.86 HG21 HD21 ' B' ' 685' ' ' LEU . 27.2 m -66.16 -41.24 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 0.956 HD13 ' HB3' ' B' ' 634' ' ' LEU . 33.2 tp -66.59 -37.17 84.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.43 . . . . 0.0 110.039 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 694' ' ' PRO . 34.8 ttmt -68.21 -43.31 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -67.52 -36.37 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.621 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.88 -34.89 78.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.525 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 2.1 tptm -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.011 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.7 ttp -64.05 -40.36 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.261 0.553 . . . . 0.0 109.574 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.752 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.0 mmtt -70.56 -32.65 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.038 176.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 30.8 tt0 -53.56 -50.36 65.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 172.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 25.4 mm-40 -55.61 -53.67 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.968 175.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.26 -52.62 62.81 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.642 0.589 . . . . 0.0 111.393 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.721 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 11.0 m0 -67.78 -35.0 77.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.537 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -64.46 -50.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.423 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.3 pt-20 -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.747 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.13 75.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 0.0 110.309 174.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -66.58 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.322 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.666 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 28.5 ttm180 -67.52 -41.55 84.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -71.76 -40.15 58.76 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.839 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -88.78 -64.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -76.16 -49.62 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.666 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -176.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.2 mt . . . . . 0 N--CA 1.446 -0.647 0 CA-C-O 121.413 0.625 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.71 89.48 5.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.93 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' TYR . . . . . 0.665 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 51.0 m-85 -68.13 -45.18 74.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.492 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 42.2 tp -68.08 160.17 29.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.173 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' LEU . . . . . 0.464 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 71.8 mt -99.29 137.7 37.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 7.6 p -62.36 142.59 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.934 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.64 -33.0 44.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.949 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -54.55 -48.56 71.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.61 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -71.62 -34.47 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.736 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.0 -52.23 60.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 110.499 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 217' ' ' MET . . . . . 0.507 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 0.8 OUTLIER -65.08 -36.87 85.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.719 178.429 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.65 -44.35 96.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.414 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 51.0 m-20 -62.99 -43.85 97.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' LEU . . . . . 0.722 HD11 ' HG2' ' B' ' 677' ' ' LYS . 41.2 mt -60.03 -39.25 85.24 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.248 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 217' ' ' MET . 87.5 mtt180 -60.35 -47.65 85.16 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.487 0.661 . . . . 0.0 109.916 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 22.4 m -65.51 -29.19 69.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.481 -175.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 223' ' ' LEU . . . . . 0.58 HD23 HD12 ' B' ' 695' ' ' ILE . 94.2 mt -66.38 -15.06 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.823 0.344 . . . . 0.0 111.424 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.239 0.542 . . . . 0.0 110.228 179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 . . . . . 0 C--O 1.237 0.419 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 617' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' B' ' 617' ' ' ARG . 9.8 ttt180 -61.66 -33.18 73.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.826 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -64.25 -39.07 93.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.036 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -70.78 -39.11 73.36 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.624 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 620' ' ' LEU . . . . . 0.52 ' HA ' HG12 ' B' ' 623' ' ' VAL . 97.0 mt -62.41 -46.3 89.21 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.071 0.462 . . . . 0.0 110.712 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.03 -46.54 85.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.729 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.15 -51.04 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.787 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 623' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.5 p -62.74 -38.06 80.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.084 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 624' ' ' LEU . . . . . 0.492 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 1.9 mm? -66.59 -42.09 87.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.738 0.304 . . . . 0.0 110.611 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.39 -48.74 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 626' ' ' THR . . . . . 0.662 HG23 ' HB ' ' B' ' 665' ' ' ILE . 26.8 m -60.23 -39.36 86.43 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.292 0.568 . . . . 0.0 110.315 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 627' ' ' ASN . . . . . 0.5 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.8 t-20 -60.15 -57.73 11.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.407 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.6 -30.95 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.42 75.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 630' ' ' THR . . . . . 0.504 HG22 HD23 ' B' ' 634' ' ' LEU . 28.5 m -67.12 -38.13 85.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 178.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 631' ' ' ILE . . . . . 0.56 HD12 ' HD2' ' B' ' 701' ' ' LYS . 32.1 mm -55.41 -55.12 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -63.1 -40.85 98.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.703 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 633' ' ' VAL . . . . . 0.623 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.9 p -69.92 -37.08 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.524 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 634' ' ' LEU . . . . . 1.026 ' HB3' HD13 ' B' ' 697' ' ' LEU . 1.4 mm? -62.0 -50.07 73.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.636 0.255 . . . . 0.0 110.857 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 635' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 46.0 mt-10 -58.2 -42.4 86.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.94 87.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 637' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 633' ' ' VAL . 43.9 mm -61.35 -45.66 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.934 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -59.95 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.78 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 639' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 68.3 mttm -66.28 -46.7 76.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 178.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -66.54 -28.48 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 641' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 86.8 mt -75.22 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 60.41 26.63 16.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.092 -174.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 61.38 89.08 0.08 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.298 -174.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 644' ' ' LEU . . . . . 0.742 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 94.9 mt -85.83 162.04 18.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.142 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 2.0 m -80.39 173.96 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.947 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -54.58 -48.76 71.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.79 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.766 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 648' ' ' GLU . . . . . 0.742 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.0 mt-10 -75.31 -28.7 59.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.698 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 649' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.6 mt-30 -71.49 -31.73 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.265 174.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.84 58.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -75.18 -59.54 2.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.434 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -110.02 99.97 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 653' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 43.7 ttm180 -120.49 158.6 26.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.478 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 52.5 mt -80.82 133.5 35.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -162.58 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.77 173.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -81.01 -12.71 59.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.723 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 657' ' ' THR . . . . . 0.605 ' HB ' HD12 ' B' ' 658' ' ' LEU . 0.0 OUTLIER -55.79 -45.36 78.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.578 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 658' ' ' LEU . . . . . 0.605 HD12 ' HB ' ' B' ' 657' ' ' THR . 4.9 mp . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 111.706 0.261 . . . . 0.0 111.706 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.24 90.17 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.21 -40.74 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.997 -175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 665' ' ' ILE . . . . . 0.662 ' HB ' HG23 ' B' ' 626' ' ' THR . 37.4 pt -71.6 -35.45 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.935 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -72.8 -44.56 61.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 667' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 4.7 tpp180 -59.12 -54.43 47.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.589 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -62.11 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.442 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.23 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.569 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 670' ' ' LEU . . . . . 0.65 HD12 HD11 ' B' ' 673' ' ' ILE . 13.6 tp -72.76 -28.98 62.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.136 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 671' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 50.0 mt-30 -75.9 -24.81 55.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.305 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 672' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 64.1 mtp180 -76.46 -10.96 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.001 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 673' ' ' ILE . . . . . 0.65 HD11 HD12 ' B' ' 670' ' ' LEU . 21.4 pt -114.32 -37.28 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.594 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 674' ' ' TYR . . . . . 0.42 ' CD2' HG13 ' B' ' 673' ' ' ILE . 80.2 m-85 -108.13 33.26 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.461 -0.149 . . . . 0.0 110.64 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.12 -52.21 0.77 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.66 -7.29 58.44 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -171.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 677' ' ' LYS . . . . . 0.722 ' HG2' HD11 ' A' ' 220' ' ' LEU . 20.3 tptt -150.78 37.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 110.721 -173.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -76.27 -38.66 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.988 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.86 76.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.194 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.39 -23.72 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 42.1 mm -79.81 -44.59 23.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.35 -41.25 86.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.36 -41.31 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.661 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.23 52.77 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.513 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 685' ' ' LEU . . . . . 0.697 HD21 HG11 ' B' ' 696' ' ' VAL . 94.4 mt -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 111.62 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 686' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 10.5 mpt_? -86.67 17.9 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -177.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -138.2 -50.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.672 0.272 . . . . 0.0 111.133 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -126.71 79.62 71.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.551 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 689' ' ' PRO . . . . . 0.489 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 53.9 Cg_endo -69.44 -19.29 37.86 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.572 2.181 . . . . 0.0 112.9 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 21.5 t -76.3 -17.71 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.2 0.524 . . . . 0.0 109.763 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 45.9 mt -104.25 -63.18 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.063 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 692' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -66.65 -43.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 693' ' ' VAL . . . . . 0.696 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 81.0 t -55.77 -57.18 22.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 119.299 -0.381 . . . . 0.0 111.586 -176.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 694' ' ' PRO . . . . . 0.696 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 84.8 Cg_exo -49.88 -50.4 13.35 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.441 2.094 . . . . 0.0 113.089 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 695' ' ' ILE . . . . . 0.58 HD12 HD23 ' A' ' 223' ' ' LEU . 47.9 mt -62.86 -57.31 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 696' ' ' VAL . . . . . 0.697 HG11 HD21 ' B' ' 685' ' ' LEU . 1.4 p -63.32 -34.79 69.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.584 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 697' ' ' LEU . . . . . 1.026 HD13 ' HB3' ' B' ' 634' ' ' LEU . 37.0 tp -62.29 -47.98 81.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -60.03 -43.14 95.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.71 0.291 . . . . 0.0 111.115 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 699' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' B' ' 702' ' ' MET . 21.5 tpp180 -61.69 -40.75 96.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 109.924 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 700' ' ' LEU . . . . . 0.527 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.8 tp -71.41 -35.96 71.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.69 -178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 701' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 32.3 mmmt -67.72 -41.12 84.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.299 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 702' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -70.41 -32.45 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.022 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 703' ' ' LYS . . . . . 0.437 ' HD3' HD21 ' A' ' 211' ' ' LEU . 7.4 tptm -72.48 -36.22 68.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 704' ' ' GLU . . . . . 0.443 ' OE1' HG21 ' B' ' 631' ' ' ILE . 4.2 tt0 -54.47 -52.52 61.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.261 0.553 . . . . 0.0 110.213 173.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.05 -46.31 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.89 -45.75 92.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 707' ' ' TRP . . . . . 0.665 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 3.6 m0 -62.62 -44.78 95.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.335 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -61.93 -41.08 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.866 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -63.39 -39.13 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.28 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.382 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 711' ' ' GLN . . . . . 0.492 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 1.1 tt0 -60.35 -39.78 88.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.066 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 712' ' ' ARG . . . . . 0.52 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 23.7 ttm180 -63.64 -49.18 74.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.459 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.49 98.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.941 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -87.21 -65.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.738 0.304 . . . . 0.0 111.608 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 715' ' ' ASN . . . . . 0.403 ' ND2' ' HG3' ' B' ' 617' ' ' ARG . 11.0 m120 -78.06 -51.54 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.067 -167.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 716' ' ' LYS . . . . . 0.52 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 14.2 tmtt? . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.472 -175.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 121.264 0.554 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -95.57 -170.0 2.07 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.539 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -83.06 -32.81 26.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.467 0.651 . . . . 0.0 109.42 174.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -128.73 135.04 48.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.779 176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -105.29 123.95 48.72 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 60.7 mt -83.41 82.38 8.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.228 0.537 . . . . 0.0 111.338 -178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -104.57 114.19 28.25 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.365 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -104.07 -46.49 4.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.892 0.377 . . . . 0.0 110.744 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 67.2 tp -84.25 134.76 34.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.571 -177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.97 151.61 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.4 p -72.96 157.95 36.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.081 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.76 -24.37 65.7 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.878 0.371 . . . . 0.0 110.421 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -59.72 -55.04 39.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.321 0.581 . . . . 0.0 110.034 174.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.17 -44.48 83.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.976 -178.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.653 HG12 ' HD1' ' B' ' 674' ' ' TYR . 67.4 mt -60.29 -51.7 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.23 -178.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.492 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 48.2 ttm -65.08 -37.09 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.831 -177.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.5 -42.39 92.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.38 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.555 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 3.1 t70 -59.34 -51.32 70.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.589 179.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.512 HD21 ' HD2' ' B' ' 677' ' ' LYS . 11.1 mp -56.87 -45.16 82.69 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.687 178.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 217' ' ' MET . 63.7 mtp180 -56.6 -46.39 80.9 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.928 0.394 . . . . 0.0 110.231 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 29.0 m -66.15 -45.31 81.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.256 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.566 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 96.7 mt -56.38 -47.53 78.75 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.977 0.418 . . . . 0.0 111.912 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -84.43 -0.9 54.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.723 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . 0.938 ' HE3' ' HA ' ' A' ' 225' ' ' LYS . 0.0 OUTLIER -110.77 -67.79 0.97 Allowed 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.257 -0.177 . . . . 0.0 111.361 179.048 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.753 HD22 HG12 ' B' ' 691' ' ' ILE . 44.8 tp 49.13 82.39 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.354 0.597 . . . . 0.0 110.759 -170.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -103.87 7.72 36.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.189 0.519 . . . . 0.0 111.114 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 C--O 1.25 1.132 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.257 -178.767 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.475 0.805 0 CA-C-O 120.873 0.368 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -138.16 -82.44 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -104.37 -56.48 2.18 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -153.66 -56.49 0.12 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.718 171.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -137.66 160.96 37.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.112 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 41.3 mm -74.19 113.23 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.011 0.434 . . . . 0.0 110.676 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -96.96 96.33 8.43 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -84.11 157.54 21.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.342 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 13.1 p -51.43 123.24 9.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.99 0.424 . . . . 0.0 111.178 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -81.95 -103.94 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.577 -177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -117.67 8.58 12.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.798 0.808 . . . . 0.0 109.057 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.82 -47.29 78.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.344 -174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -61.11 -42.39 98.43 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.588 178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -56.72 -46.01 81.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.41 ' O ' HG12 ' B' ' 623' ' ' VAL . 13.0 tp10 -60.47 -46.91 88.37 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.579 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.5 ' HA ' HG12 ' B' ' 623' ' ' VAL . 4.4 mm? -71.92 -46.02 59.13 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.912 0.387 . . . . 0.0 111.307 -175.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -56.46 -46.14 80.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.853 -178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.2 t -71.0 -47.71 60.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.711 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.5 HG12 ' HA ' ' B' ' 620' ' ' LEU . 12.8 p -66.11 -35.14 74.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.16 -176.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.413 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 2.9 mm? -69.88 -42.84 72.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.597 0.237 . . . . 0.0 110.66 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.66 -44.57 96.7 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.021 0.439 . . . . 0.0 110.134 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.512 HG22 ' HB2' ' B' ' 669' ' ' ALA . 64.2 m -60.74 -42.62 97.71 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.206 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.555 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.72 -56.15 25.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.401 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -56.28 -40.94 75.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.511 0.507 . . . . 0.0 112.038 -177.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.15 98.23 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.254 0.549 . . . . 0.0 110.646 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.505 ' HA ' HG12 ' B' ' 633' ' ' VAL . 30.9 m -73.31 -33.82 65.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.87 178.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 627' ' ' ASN . 40.8 mm -58.68 -49.87 81.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.059 0.457 . . . . 0.0 109.915 174.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -57.36 -55.28 36.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.335 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.505 HG12 ' HA ' ' B' ' 630' ' ' THR . 8.8 p -64.27 -40.58 89.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.477 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.0 mt -69.48 -44.04 71.95 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.24 -178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.425 ' CD ' HD21 ' B' ' 697' ' ' LEU . 7.9 mm-40 -61.93 -34.37 75.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.789 0.328 . . . . 0.0 110.772 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.54 -50.97 63.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.457 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.518 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 36.5 mm -64.29 -45.66 95.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . 0.557 ' HA ' HD12 ' B' ' 641' ' ' LEU . 0.9 OUTLIER -61.15 -34.69 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.658 -178.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -39.6 76.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.918 177.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -68.77 -28.84 67.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.557 HD12 ' HA ' ' B' ' 638' ' ' GLN . 96.6 mt -68.03 -60.06 2.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.723 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 42.3 p 48.2 36.55 6.88 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.108 -175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 66.41 91.23 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.78 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.626 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.9 mt -96.44 160.76 14.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.138 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.0 m -73.77 172.16 12.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.989 176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.68 -48.74 80.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.906 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.41 -27.48 69.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.1 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.626 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 47.0 mt-10 -79.08 -29.1 43.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.61 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.528 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 50.5 mt-30 -74.65 -22.72 58.75 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.188 0.518 . . . . 0.0 109.993 175.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.15 -43.31 29.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.934 170.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.26 -62.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.584 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -95.84 95.77 8.5 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 40.9 ttm180 -133.58 154.78 50.6 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.768 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 7.2 mp -69.31 82.63 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.121 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -90.96 -51.36 5.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.814 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -116.53 -1.43 12.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.542 0.686 . . . . 0.0 109.255 173.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 0.7 OUTLIER -79.63 137.72 37.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.539 -176.281 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' B' ' 657' ' ' THR . 9.7 mp 69.66 15.61 8.09 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.788 0.68 . . . . 0.0 110.709 -176.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.989 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -131.19 -143.75 5.31 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.89 179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 77.33 -74.58 1.88 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.439 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 40.0 p -134.65 -43.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.175 0.512 . . . . 0.0 111.103 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.7 p -89.21 17.03 6.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.754 -172.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.989 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 10.9 pt-20 -65.96 -39.12 90.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.904 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.08 -33.38 42.63 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 CA-C-O 120.828 0.347 . . . . 0.0 111.083 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.437 HG23 HG23 ' B' ' 626' ' ' THR . 54.6 mt -61.88 -50.92 78.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.249 0.547 . . . . 0.0 110.755 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -79.21 -34.61 42.73 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.663 -176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 44.0 ttt180 -62.46 -49.63 74.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.213 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -63.39 -45.57 90.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.912 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.512 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -59.26 -39.1 81.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.613 HD12 HD11 ' B' ' 673' ' ' ILE . 11.5 tp -75.47 -35.36 60.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.36 -178.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 51.7 mt-30 -68.98 -23.54 64.13 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.895 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -73.0 -35.21 66.79 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.116 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.613 HD11 HD12 ' B' ' 670' ' ' LEU . 25.2 pt -92.97 -36.21 7.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.671 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.653 ' HD1' HG12 ' A' ' 216' ' ' ILE . 27.5 m-85 -116.53 40.07 2.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.852 -0.158 . . . . 0.0 110.982 -178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.12 -54.93 0.5 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -74.46 -34.35 63.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.512 ' HD2' HD21 ' A' ' 220' ' ' LEU . 71.7 mmtt -116.46 29.07 8.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.54 -172.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.94 90.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.19 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.66 -38.38 90.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.304 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.425 HG12 ' O ' ' B' ' 677' ' ' LYS . 30.8 mm -75.79 -41.74 40.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.354 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.456 ' O ' ' HG2' ' B' ' 686' ' ' ARG . 31.1 mm -59.08 -46.18 92.02 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -58.52 -41.62 85.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.692 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -58.89 -42.16 96.56 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.106 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.671 HD21 HG21 ' B' ' 696' ' ' VAL . 88.8 mt -67.31 -32.32 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.111 0.481 . . . . 0.0 110.881 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.459 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 13.6 mmm180 -87.81 11.41 15.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.98 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.453 ' HB3' ' HE2' ' B' ' 687' ' ' LYS . 33.6 ttpt -137.76 -62.12 0.61 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.933 0.396 . . . . 0.0 111.196 -172.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -123.16 84.21 51.45 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.226 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.528 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 44.4 Cg_endo -67.0 -41.2 10.32 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.32 2.013 . . . . 0.0 112.752 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 70.7 m -75.57 -5.26 44.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.157 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.753 HG12 HD22 ' A' ' 226' ' ' LEU . 42.5 mt -101.45 -60.14 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.342 174.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -72.52 -50.42 25.94 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -173.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.557 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 73.6 t -52.35 -51.94 67.7 Favored Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -173.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 58.8 Cg_exo -53.71 -42.94 62.11 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 121.762 1.641 . . . . 0.0 112.52 178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.61 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 36.7 mt -70.97 -55.24 14.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 -178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.671 HG21 HD21 ' B' ' 685' ' ' LEU . 31.4 m -58.74 -37.97 69.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.132 -178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.605 ' O ' ' HG2' ' B' ' 701' ' ' LYS . 49.7 tp -64.87 -43.82 91.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.635 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -63.14 -38.74 92.39 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.603 0.239 . . . . 0.0 111.006 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 29.2 mmt180 -61.73 -42.78 99.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.648 0.737 . . . . 0.0 109.143 174.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 37.3 tp -70.08 -33.27 71.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.614 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 2.8 mmmp? -73.04 -41.17 64.48 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.16 -0.216 . . . . 0.0 111.136 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' B' ' 699' ' ' ARG . 25.1 ptt? -66.33 -37.0 84.36 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' B' ' 703' ' ' LYS . 37.5 tptt -71.02 -33.96 70.86 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.621 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 24.9 tt0 -56.48 -51.44 68.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.663 175.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.3 tt0 -63.79 -38.06 89.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.95 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -65.17 -43.03 93.04 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.833 0.349 . . . . 0.0 110.755 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -63.82 -38.82 92.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.612 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 0.3 OUTLIER -60.69 -41.05 94.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 176.533 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.6 mm-40 -58.83 -44.49 90.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.984 0.421 . . . . 0.0 110.431 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.77 98.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.536 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.512 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 31.0 tt0 -64.3 -32.98 74.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.326 178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.619 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 33.0 mmt180 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.964 0.411 . . . . 0.0 110.094 176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -69.89 -47.79 45.14 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.814 -0.707 . . . . 0.0 113.048 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -88.54 -65.0 1.06 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.512 ' HB2' ' HG2' ' B' ' 711' ' ' GLN . 4.4 m120 -67.76 -47.17 69.95 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.619 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 8.2 tmtt? -65.16 -48.5 73.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.631 -174.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.41 ' O ' ' HG2' ' B' ' 721' ' ' GLN . 90.6 t -65.28 -36.64 78.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.891 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -59.49 -44.75 93.01 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 4.6 tpm_? -53.95 -51.07 65.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.144 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 48.0 mm-40 -58.32 -54.37 47.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.046 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 33.3 mm-40 -62.04 -40.28 95.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.741 -174.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -72.95 -41.33 64.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.462 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 31.5 mm-40 -80.15 -24.4 40.44 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -175.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -85.91 -177.88 6.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.157 0.503 . . . . 0.0 111.507 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -77.78 111.05 13.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.013 -174.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . 0.423 ' O ' ' HB2' ' B' ' 727' ' ' LEU . 76.4 t80 -85.51 -13.99 47.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.13 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' B' ' 726' ' ' TYR . 91.2 mt 73.03 -179.16 0.21 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.746 -178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -105.1 6.19 33.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.57 -173.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.292 -0.861 . . . . 0.0 109.655 178.267 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.871 0.367 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -93.26 130.97 38.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.545 -176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -79.19 95.73 5.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.492 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . 0.695 ' H ' ' HZ ' ' B' ' 714' ' ' PHE . . . -59.65 141.24 55.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.383 176.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -80.62 79.82 7.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.734 0.778 . . . . 0.0 110.152 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 50.6 mt -84.05 103.74 13.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.577 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -84.9 -16.83 39.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.014 0.435 . . . . 0.0 109.831 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.649 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 79.2 m-85 69.39 11.89 8.18 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.463 176.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 74.7 mt -110.2 174.94 5.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.618 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 18.2 tp -113.21 151.31 31.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 176.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 29.7 p -66.06 133.28 50.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.962 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -59.7 -28.51 67.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.462 -177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.31 -48.86 80.04 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.692 0.282 . . . . 0.0 110.44 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -66.38 -41.96 88.62 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.549 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 84.5 mt -55.48 -52.03 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.29 0.566 . . . . 0.0 110.517 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 51.0 ttm -66.28 -30.93 71.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.611 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . 0.584 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 34.6 tt0 -65.66 -41.27 92.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.128 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 82.0 m-20 -64.28 -46.13 85.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.51 178.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 223' ' ' LEU . 6.2 mp -55.12 -48.69 73.3 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.961 0.41 . . . . 0.0 110.886 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.584 ' HE ' ' HA ' ' A' ' 218' ' ' GLU . 63.4 mtm180 -57.85 -40.64 80.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.811 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.3 m -70.13 -35.76 74.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.389 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 87.7 mt -60.05 -23.07 63.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.932 0.396 . . . . 0.0 110.835 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . 0.515 HD22 ' N ' ' A' ' 224' ' ' ASN . 0.8 OUTLIER -100.76 4.1 42.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.173 -177.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 221' ' ' ARG . 31.3 mmmt -85.47 -50.52 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.843 0.354 . . . . 0.0 111.313 -178.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.89 81.01 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.076 0.465 . . . . 0.0 109.88 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -141.19 133.84 28.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.168 0.508 . . . . 0.0 110.799 -176.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 C--O 1.248 0.975 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.811 177.69 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.48 1.04 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -118.16 98.78 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 175.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -72.55 -36.4 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.292 0.568 . . . . 0.0 109.75 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -135.97 154.78 50.99 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.357 -0.838 . . . . 0.0 108.958 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 68.61 91.72 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.658 0.599 . . . . 0.0 110.544 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . 0.419 ' N ' HD12 ' B' ' 610' ' ' ILE . 3.1 mp -100.58 116.55 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.529 -177.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -113.93 129.79 56.57 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -85.78 88.63 7.58 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -171.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 64.5 m 62.51 95.15 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 166.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -108.27 -45.06 3.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.652 170.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -70.0 -14.01 62.5 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.432 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 7.1 tp10 -70.48 -48.89 53.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.943 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.25 -42.92 83.12 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.273 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG23 ' B' ' 622' ' ' VAL . 86.5 t80 -57.86 -43.82 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.376 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -68.68 -30.7 69.42 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.652 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 65.3 mt -60.62 -48.82 80.08 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-O 120.775 0.321 . . . . 0.0 110.688 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.88 -45.74 91.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.045 0.45 . . . . 0.0 110.343 177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 618' ' ' PHE . 69.0 t -62.87 -51.18 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.771 -179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.476 HG13 HD22 ' B' ' 624' ' ' LEU . 14.1 p -64.02 -39.58 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 111.383 0.142 . . . . 0.0 111.383 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.5 HD12 ' NE ' ' B' ' 708' ' ' ARG . 2.2 mm? -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.683 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.05 -41.66 98.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.261 0.553 . . . . 0.0 110.464 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.696 HG23 ' HB ' ' B' ' 665' ' ' ILE . 77.2 m -67.17 -46.08 75.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.194 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.514 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.0 t30 -66.52 -45.48 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.623 -176.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.605 ' HB2' HH21 ' B' ' 708' ' ' ARG . 2.8 tm? -60.26 -40.44 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.35 84.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.135 0.493 . . . . 0.0 110.336 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.547 HG22 HD23 ' B' ' 634' ' ' LEU . 18.9 m -68.97 -38.51 79.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.47 177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.522 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 46.1 mm -53.52 -53.85 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.351 174.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -64.51 -39.05 93.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.561 -0.745 . . . . 0.0 112.172 -174.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.582 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.4 p -72.2 -35.39 52.74 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.554 179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.801 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.7 mm? -65.3 -43.46 91.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.449 0.166 . . . . 0.0 110.753 175.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' B' ' 631' ' ' ILE . 45.5 mt-10 -58.78 -38.41 78.45 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.188 0.518 . . . . 0.0 110.147 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.66 -41.07 96.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.576 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.582 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.3 mm -64.67 -46.02 93.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.123 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -56.29 -39.89 73.43 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.633 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' B' ' 639' ' ' LYS . 53.3 mmtt -67.23 -46.57 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.368 176.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -67.27 -30.66 70.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.19 -178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 92.9 mt -68.43 -43.14 77.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.768 176.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 56.25 19.71 4.09 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.697 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 48.59 54.59 10.32 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.402 0.62 . . . . 0.0 111.761 -172.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' B' ' 641' ' ' LEU . 51.1 mt -65.15 175.19 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.051 170.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 10.6 t -77.79 172.17 13.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.116 -0.328 . . . . 0.0 110.116 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.52 -43.56 79.91 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -65.44 -31.02 71.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.371 0.605 . . . . 0.0 109.737 -179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 43.5 mt-10 -78.53 -31.9 47.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.851 179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.54 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 79.7 mm-40 -67.85 -30.71 70.15 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.241 0.544 . . . . 0.0 110.175 175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.23 -33.52 61.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.391 176.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -67.3 -59.42 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -90.85 90.83 8.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.627 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.8 ttp180 -111.55 149.38 31.49 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.474 -173.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.785 HD23 HD21 ' B' ' 658' ' ' LEU . 5.5 mp -75.75 60.29 1.28 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.263 0.554 . . . . 0.0 109.986 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.32 -59.39 2.47 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.959 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -131.73 23.84 4.67 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.112 0.958 . . . . 0.0 108.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.3 m -92.45 -14.4 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.9 -172.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.785 HD21 HD23 ' B' ' 654' ' ' LEU . 85.0 mt -83.32 -0.22 48.74 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 111.135 -175.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.463 ' HA3' ' HB2' ' B' ' 662' ' ' SER . . . 124.43 -23.3 6.42 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.553 -0.832 . . . . 0.0 113.353 173.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 66.23 -94.62 0.22 Allowed Glycine 0 C--O 1.229 -0.175 0 C-N-CA 120.379 -0.915 . . . . 0.0 111.309 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 55.1 m -67.94 -35.77 78.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.193 0.52 . . . . 0.0 109.63 172.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . 0.463 ' HB2' ' HA3' ' B' ' 659' ' ' GLY . 36.7 m -77.01 -6.41 52.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.992 178.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.536 ' HG2' ' HB2' ' B' ' 667' ' ' ARG . 42.6 tt0 -77.02 -23.34 52.16 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.714 -177.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -51.07 -46.3 30.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.696 ' HB ' HG23 ' B' ' 626' ' ' THR . 18.9 pt -71.32 -41.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.631 0.253 . . . . 0.0 111.461 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . 0.424 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.6 m170 -68.96 -47.12 66.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.766 0.793 . . . . 0.0 109.801 -176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.536 ' HB2' ' HG2' ' B' ' 663' ' ' GLU . 21.1 ttt180 -65.64 -36.44 83.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.531 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.56 -47.1 67.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.4 95.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.997 0.427 . . . . 0.0 110.675 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.501 HD11 HG22 ' B' ' 696' ' ' VAL . 18.6 tp -66.97 -37.06 83.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.586 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.446 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 40.9 mt-30 -72.22 -24.17 61.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.83 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.424 ' HE ' ' HB3' ' A' ' 209' ' ' TYR . 31.5 ttt180 -68.09 -46.52 70.75 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.334 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.733 HG21 ' HG2' ' B' ' 703' ' ' LYS . 27.3 pt -75.77 -38.6 37.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.221 179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.493 ' CD1' HG13 ' B' ' 681' ' ' ILE . 63.0 m-85 -92.73 27.89 2.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.812 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -46.55 -29.94 2.03 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.593 0.961 . . . . 0.0 113.593 -176.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -73.37 -38.71 65.58 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.59 45.99 0.79 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.255 0.55 . . . . 0.0 110.967 -170.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.446 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -71.91 -26.45 62.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.237 -177.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.07 66.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.794 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -84.69 -34.67 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 121.006 -0.278 . . . . 0.0 111.127 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.493 HG13 ' CD1' ' B' ' 674' ' ' TYR . 23.0 mm -70.38 -45.88 73.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.501 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.439 HD13 HD23 ' B' ' 670' ' ' LEU . 46.6 mm -58.54 -40.4 78.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.416 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -75.49 -36.51 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.751 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.23 -37.39 91.75 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.384 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.525 HD21 HG11 ' B' ' 696' ' ' VAL . 92.3 mt -57.51 -30.71 65.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 175.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.627 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 10.9 mpt_? -86.69 -12.94 46.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.676 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -100.83 -44.69 5.7 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.836 -174.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -148.49 94.14 4.22 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 121.247 0.546 . . . . 0.0 110.269 177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.588 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 42.7 Cg_endo -69.2 -21.0 36.71 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.859 2.373 . . . . 0.0 112.514 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 16.2 t -69.56 -27.12 64.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.262 0.553 . . . . 0.0 110.026 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.481 HG21 ' HA ' ' A' ' 223' ' ' LEU . 57.2 mt -93.53 -63.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.936 177.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.39 -45.04 89.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.678 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 83.4 t -56.2 -57.19 24.09 Favored Pre-proline 0 CA--C 1.535 0.403 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -174.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.678 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.4 Cg_exo -56.02 -43.43 56.79 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 121.949 1.766 . . . . 0.0 112.542 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 72.7 mt -64.09 -55.41 22.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.177 0.513 . . . . 0.0 110.686 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.525 HG11 HD21 ' B' ' 685' ' ' LEU . 1.5 p -65.93 -34.42 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.704 -173.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' B' ' 634' ' ' LEU . 39.9 tp -69.12 -36.46 77.52 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.507 177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -72.03 -38.56 69.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.768 0.318 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -62.77 -42.08 99.53 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-O 121.355 0.598 . . . . 0.0 109.577 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.522 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 23.1 tp -67.25 -35.23 79.1 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.84 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -47.57 82.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.948 176.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 45.2 ttp -59.01 -43.72 91.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.705 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.733 ' HG2' HG21 ' B' ' 673' ' ' ILE . 39.7 tptt -69.96 -37.09 75.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.427 -178.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -55.85 -51.58 67.04 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.882 173.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 45.1 mt-10 -59.77 -43.11 94.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.95 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -57.88 -52.25 66.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.974 0.416 . . . . 0.0 110.314 177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.649 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 1.9 m0 -63.18 -34.72 78.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.367 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.605 HH21 ' HB2' ' B' ' 628' ' ' LEU . 30.6 mmt180 -68.56 -33.11 73.51 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.234 -0.186 . . . . 0.0 111.132 177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 45.2 mt-10 -81.28 -30.0 34.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.752 0.31 . . . . 0.0 110.681 178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -68.65 -46.24 69.69 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.616 ' HG3' ' HB3' ' B' ' 715' ' ' ASN . 58.1 tt0 -62.14 -39.24 91.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.62 174.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.603 ' O ' HG23 ' B' ' 717' ' ' VAL . 77.2 ttt180 -50.82 -50.7 55.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.677 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -72.6 -45.44 36.09 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.076 -0.583 . . . . 0.0 113.421 -177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . 0.695 ' HZ ' ' H ' ' A' ' 205' ' ' ALA . 93.4 m-85 -89.86 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.616 ' HB3' ' HG3' ' B' ' 711' ' ' GLN . 24.8 t-20 -75.79 -49.4 18.19 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -168.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.566 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 8.5 tmtt? -63.6 -48.71 76.25 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -175.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.603 HG23 ' O ' ' B' ' 712' ' ' ARG . 31.8 t -63.18 -39.28 84.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.404 177.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . 0.451 ' HB2' ' O ' ' B' ' 714' ' ' PHE . 11.7 t90 -60.06 -40.3 88.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.955 0.407 . . . . 0.0 110.061 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 11.0 tpt180 -61.89 -44.55 96.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.035 175.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 21.2 mm-40 -53.89 -42.72 68.96 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.168 0.509 . . . . 0.0 110.255 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 6.7 mm-40 -69.41 -36.29 76.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.861 -179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.81 -17.68 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.573 -177.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 25.1 mm-40 -80.22 -8.15 59.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 111.183 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . 0.444 ' HE3' ' HA ' ' B' ' 721' ' ' GLN . 9.6 mtmp? -101.19 167.62 10.09 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 41.66 86.04 0.02 OUTLIER 'General case' 0 C--O 1.235 0.303 0 O-C-N 124.855 1.347 . . . . 0.0 113.469 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -67.79 130.59 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.466 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.5 mt -89.44 117.35 28.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.225 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -71.95 -18.64 61.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 110.369 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 C--O 1.251 1.141 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 173.344 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 69.63 112.46 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.795 0.684 . . . . 0.0 111.685 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -77.52 -14.89 59.56 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.609 175.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -105.67 -176.86 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.315 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 63.84 91.03 0.08 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.718 0.636 . . . . 0.0 110.357 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' B' ' 710' ' ' ALA . 76.3 mt -108.97 148.79 30.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.841 -176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -112.99 91.15 3.55 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -66.4 -26.6 67.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.626 -177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.436 HD13 ' O ' ' B' ' 672' ' ' ARG . 4.6 mm? -88.0 168.63 12.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.904 175.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.703 ' HB2' ' HB ' ' B' ' 673' ' ' ILE . 30.5 tp -108.35 146.88 32.33 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 176.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 22.4 m -64.8 131.68 47.46 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 120.848 0.356 . . . . 0.0 110.782 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -57.65 -43.46 84.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.845 -172.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -58.7 -40.13 82.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.927 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -68.18 -39.48 82.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.062 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.503 HG12 HD23 ' A' ' 211' ' ' LEU . 74.2 mt -61.99 -47.79 91.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.369 177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 53.2 mtt -59.9 -38.71 83.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.282 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -55.63 -46.66 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.248 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.552 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 81.9 m-20 -62.16 -50.11 73.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.718 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.472 HD21 ' HD2' ' B' ' 677' ' ' LYS . 10.7 mp -55.62 -50.5 70.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.933 0.397 . . . . 0.0 111.066 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 221' ' ' ARG . 30.7 mtm180 -63.31 -29.71 70.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 -178.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 61.8 m -71.48 -46.38 59.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.676 0.274 . . . . 0.0 110.316 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.6 mt -55.97 -49.48 73.46 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -67.52 -18.82 65.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.887 -174.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -95.26 -7.18 39.62 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.288 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.758 ' HB3' HD12 ' B' ' 691' ' ' ILE . 87.2 mt -106.92 91.12 3.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.9 0.381 . . . . 0.0 111.352 -177.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 62.3 173.94 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.39 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.437 178.858 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 44.8 t30 72.83 126.56 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.463 0.649 . . . . 0.0 111.272 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -65.32 -8.44 18.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.581 -173.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.1 -19.1 65.58 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.405 0.15 . . . . 0.0 111.405 177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 41.3 m80 64.32 43.12 4.89 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.447 0.467 . . . . 0.0 110.406 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 13.1 pt -89.11 97.28 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.603 0.716 . . . . 0.0 111.459 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -112.42 83.91 1.88 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.292 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -126.05 98.38 5.47 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.927 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . 0.448 ' O ' ' HB2' ' B' ' 616' ' ' GLU . 82.2 m -115.98 120.93 40.75 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 120.865 0.364 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.69 -15.7 57.06 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 172.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -76.72 -4.29 42.5 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.91 174.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' B' ' 613' ' ' CYS . 4.3 tp10 -65.77 -45.72 81.43 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.276 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -75.72 -34.43 60.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.734 -177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.435 ' O ' HG23 ' B' ' 622' ' ' VAL . 75.3 t80 -63.83 -47.25 81.54 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -66.77 -31.07 71.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.043 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.515 ' HA ' HG12 ' B' ' 623' ' ' VAL . 29.9 tp -66.69 -43.93 83.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.095 0.474 . . . . 0.0 109.961 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.19 -42.88 99.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.935 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . 0.435 HG23 ' O ' ' B' ' 618' ' ' PHE . 74.8 t -63.92 -50.97 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.274 178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.9 p -64.71 -34.9 73.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.189 0 C-N-CA 121.321 -0.152 . . . . 0.0 111.111 -176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' B' ' 707' ' ' TRP . 2.6 mm? -67.23 -40.12 86.31 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.117 -0.233 . . . . 0.0 110.517 176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.91 -44.95 72.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.78 0.324 . . . . 0.0 110.449 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.565 HG22 ' HB2' ' B' ' 669' ' ' ALA . 89.8 m -58.15 -44.77 88.05 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 121.326 0.584 . . . . 0.0 110.096 175.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.43 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.8 t-20 -63.18 -54.48 36.89 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.922 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 2.4 mm? -53.47 -45.3 69.53 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.338 0.399 . . . . 0.0 111.365 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.48 82.72 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.232 0.539 . . . . 0.0 110.737 177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.485 ' HA ' HG12 ' B' ' 633' ' ' VAL . 58.4 m -70.8 -40.51 72.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.161 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.536 HD12 ' HD2' ' B' ' 701' ' ' LYS . 32.5 mm -51.77 -51.15 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 172.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.49 ' NE ' ' HA ' ' B' ' 632' ' ' ARG . 2.1 mmp_? -57.16 -50.7 72.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.585 -178.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.485 HG12 ' HA ' ' B' ' 630' ' ' THR . 9.0 p -68.5 -36.16 73.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.063 -178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.923 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.1 mm? -60.23 -51.81 67.97 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 110.578 177.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.46 -36.26 83.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . 0.596 ' O ' ' HG2' ' B' ' 640' ' ' LYS . . . -63.82 -47.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.742 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 32.8 mm -69.62 -40.72 79.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.861 -178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . 0.488 ' C ' HE21 ' B' ' 638' ' ' GLN . 0.0 OUTLIER -61.55 -34.95 76.44 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.671 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -65.92 -44.12 86.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.052 176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' B' ' 636' ' ' ALA . 14.4 mmmm -62.76 -38.1 89.25 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.454 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.1 mt -66.68 -68.75 0.35 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.282 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.2 m 55.4 34.0 22.05 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.995 0.426 . . . . 0.0 110.6 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 51.7 mtt180 61.64 80.83 0.21 Allowed 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.051 -175.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 81.7 mt -76.4 157.47 32.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.522 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 69.4 p -76.85 175.74 9.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.76 68.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -174.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.21 -30.99 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.892 0.377 . . . . 0.0 110.462 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -76.15 -29.8 57.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -75.49 -24.5 56.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.129 0.49 . . . . 0.0 110.931 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.83 -26.34 44.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.248 0.547 . . . . 0.0 109.622 170.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -73.15 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.248 176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -106.35 105.59 15.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.734 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 33.9 ttm180 -134.95 159.72 40.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.635 ' HA ' ' OG1' ' B' ' 657' ' ' THR . 8.7 mp -76.18 27.74 0.12 Allowed 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -172.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -83.22 -22.86 33.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.981 0.42 . . . . 0.0 110.278 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -120.85 8.13 10.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.655 -178.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . 0.635 ' OG1' ' HA ' ' B' ' 654' ' ' LEU . 0.1 OUTLIER -109.17 -167.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.628 -175.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 92.9 mt 75.83 -41.67 0.44 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.105 0.962 . . . . 0.0 111.199 -177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . 101.44 131.44 7.39 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.935 173.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -92.28 9.69 75.73 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 9.8 t -99.43 -9.32 23.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.403 0.62 . . . . 0.0 109.925 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 14.6 p -154.08 28.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.272 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.608 ' O ' ' HD3' ' B' ' 667' ' ' ARG . 0.5 OUTLIER -64.7 -40.4 95.3 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.653 -177.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -56.69 -37.84 54.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.715 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 55.0 mt -68.61 -43.22 83.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.718 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 48.8 m-70 -73.6 -38.11 65.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.133 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' B' ' 663' ' ' GLU . 9.6 mpt_? -61.32 -46.29 90.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.244 174.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -64.22 -39.04 93.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.24 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.565 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.79 -42.38 99.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.887 0.375 . . . . 0.0 110.805 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.25 -41.9 76.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.998 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -66.92 -23.39 65.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.719 0.295 . . . . 0.0 111.573 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' B' ' 672' ' ' ARG . 4.8 tpm_? -56.47 -47.26 79.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.701 177.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 211' ' ' LEU . 11.6 pt -104.96 -41.91 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.999 -177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -95.82 32.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.325 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.27 -59.46 0.3 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -175.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -94.18 -1.09 54.71 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -172.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.472 ' HD2' HD21 ' A' ' 220' ' ' LEU . 45.7 mmtm -129.88 21.26 5.43 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.725 0.298 . . . . 0.0 111.236 -177.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.3 93.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.887 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.29 84.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.52 -40.95 80.59 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.558 -177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.04 -48.03 76.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' B' ' 685' ' ' LEU . 93.3 mt -63.65 -40.05 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.093 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -58.71 -42.19 88.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.972 175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -66.5 -40.16 94.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.489 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.607 HD21 HG21 ' B' ' 696' ' ' VAL . 95.9 mt -59.27 -40.66 86.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.077 0.465 . . . . 0.0 110.909 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.431 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 79.4 mtp180 -89.28 17.52 6.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.133 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -126.12 -56.24 1.45 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.886 0.374 . . . . 0.0 110.197 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.43 ' HB3' HG12 ' B' ' 691' ' ' ILE . 84.5 m-20 -132.19 92.96 27.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.094 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.35 -31.13 22.98 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.765 2.31 . . . . 0.0 112.568 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 77.5 p -71.68 -16.37 62.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.248 0.547 . . . . 0.0 110.178 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.758 HD12 ' HB3' ' A' ' 226' ' ' LEU . 37.4 mm -98.68 -63.25 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.113 -177.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.503 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -70.52 -49.11 51.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.892 -0.595 . . . . 0.0 112.555 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.559 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 88.6 t -54.45 -51.21 80.17 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.559 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.1 Cg_exo -54.53 -45.67 39.18 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 121.654 1.57 . . . . 0.0 112.027 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 75.8 mt -64.33 -52.19 58.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.607 HG21 HD21 ' B' ' 685' ' ' LEU . 29.5 m -65.03 -38.82 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.388 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.923 HD13 ' HB3' ' B' ' 634' ' ' LEU . 46.1 tp -61.67 -40.61 95.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 54.1 mtpt -68.65 -42.51 77.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 121.021 -0.271 . . . . 0.0 110.816 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.438 ' HE ' ' CG ' ' A' ' 219' ' ' ASP . 21.7 mmt180 -58.98 -47.52 84.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.392 0.615 . . . . 0.0 110.022 175.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' B' ' 631' ' ' ILE . 34.0 tp -66.12 -31.26 72.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.82 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.536 ' HD2' HD12 ' B' ' 631' ' ' ILE . 9.3 tptp -76.09 -40.36 53.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.173 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . 0.533 ' O ' ' HB2' ' B' ' 705' ' ' GLU . 0.0 OUTLIER -73.2 -31.71 64.36 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.351 0.596 . . . . 0.0 109.837 177.415 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.484 ' HG2' HG21 ' B' ' 673' ' ' ILE . 12.1 tptp -69.56 -33.83 73.32 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 34.7 tt0 -61.13 -42.06 97.85 Favored 'General case' 0 C--O 1.219 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' B' ' 702' ' ' MET . 52.6 mt-10 -51.26 -50.15 59.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.453 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -57.63 -49.59 75.93 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.039 0.447 . . . . 0.0 110.809 177.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.435 ' HB3' HD21 ' B' ' 624' ' ' LEU . 8.5 m0 -64.54 -30.41 71.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.546 -179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 26.3 mmt180 -69.18 -33.78 73.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.62 -0.141 . . . . 0.0 110.62 176.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 17.2 mm-40 -64.49 -43.62 93.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.142 0.496 . . . . 0.0 109.732 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . 0.543 ' HB2' HD21 ' A' ' 207' ' ' LEU . . . -67.12 -48.23 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.859 176.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.47 -39.91 77.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.026 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.618 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 22.2 tpt180 -61.38 -53.69 53.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.578 175.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -64.17 -45.44 93.68 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.114 -0.565 . . . . 0.0 113.298 -174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -88.62 -66.52 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.945 0.372 . . . . 0.0 111.949 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -75.93 -55.24 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.037 0.446 . . . . 0.0 111.74 -169.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.618 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 23.1 tptp -59.97 -47.55 85.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.871 -174.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 712' ' ' ARG . 17.3 t -66.38 -44.99 90.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.589 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -57.08 -43.07 81.81 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.894 0.378 . . . . 0.0 110.252 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -62.25 -48.48 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.667 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.574 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 59.8 mt-10 -69.46 -18.74 63.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.716 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -90.1 -62.11 1.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.922 0.391 . . . . 0.0 111.431 174.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -70.8 -41.09 72.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.873 -170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -81.05 -2.52 48.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.405 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -90.03 103.48 16.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.989 0.423 . . . . 0.0 110.073 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -105.07 158.64 16.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.674 -175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -124.01 111.14 15.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.568 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 94.7 mt -126.93 77.18 1.71 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.065 0.459 . . . . 0.0 110.813 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -148.73 138.34 21.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.624 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.111 177.094 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 46.7 m . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -142.04 126.64 17.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.451 0.643 . . . . 0.0 111.233 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . 0.599 ' HA ' ' HZ ' ' B' ' 714' ' ' PHE . . . -151.72 158.68 43.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.692 178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -101.99 -31.22 10.77 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.074 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 64.96 83.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.665 0.745 . . . . 0.0 110.209 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.458 HD13 ' HB2' ' B' ' 710' ' ' ALA . 1.7 pt? -123.53 155.8 36.88 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.334 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -120.4 114.77 22.31 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.415 0.626 . . . . 0.0 111.239 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.501 ' HE2' HG11 ' B' ' 623' ' ' VAL . 96.5 m-85 -72.38 -39.98 67.6 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 174.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 63.3 tp -90.4 150.31 21.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.902 -1.045 . . . . 0.0 110.427 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.4 HD12 ' CE1' ' B' ' 674' ' ' TYR . 62.9 mt -96.62 158.65 15.33 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 174.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 11.1 p -73.92 162.66 28.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.889 -0.142 . . . . 0.0 111.135 -179.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.34 -48.89 36.02 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.591 0.557 . . . . 0.0 110.784 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' ' 218' ' ' GLU . 37.4 tt0 -52.71 -40.37 62.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.501 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -71.38 -41.41 69.69 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.532 HG13 ' HD1' ' B' ' 674' ' ' TYR . 1.8 mp -60.15 -50.9 78.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.039 0.447 . . . . 0.0 109.985 177.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.566 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 1.1 mpt? -62.69 -39.26 93.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.663 178.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' ' 214' ' ' GLU . 2.4 tp10 -60.77 -37.45 81.9 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.211 0.529 . . . . 0.0 110.426 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -66.16 -48.54 70.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.773 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.446 ' HA ' HD12 ' A' ' 223' ' ' LEU . 11.2 mp -60.28 -38.88 84.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.045 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 217' ' ' MET . 32.5 mmt180 -55.54 -49.26 73.12 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.872 0.368 . . . . 0.0 110.281 174.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 35.7 m -61.88 -37.8 85.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.008 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.461 HD23 HG22 ' B' ' 691' ' ' ILE . 77.1 mt -60.17 -31.89 70.54 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.323 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . 0.427 HD22 ' N ' ' A' ' 224' ' ' ASN . 0.9 OUTLIER -91.19 -22.13 20.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.354 -178.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -96.61 -2.81 44.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.627 0.251 . . . . 0.0 111.647 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.576 HD12 HG12 ' B' ' 691' ' ' ILE . 0.4 OUTLIER -81.61 115.14 20.75 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 176.169 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.488 ' HB2' ' NZ ' ' A' ' 227' ' ' LYS . 9.7 mtmp? -99.44 156.77 16.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.071 0.463 . . . . 0.0 111.394 -173.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.532 175.856 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 120.984 0.421 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -147.8 175.66 10.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.932 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -78.24 137.25 38.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.767 -0.197 . . . . 0.0 110.478 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 70.52 154.99 0.14 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.889 0.743 . . . . 0.0 110.14 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -72.01 107.39 4.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.52 0.676 . . . . 0.0 111.015 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 61.8 mt -100.94 130.58 50.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.944 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.41 130.32 34.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.279 -177.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -91.31 120.26 32.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 85.1 m -96.18 -20.58 18.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.31 0.576 . . . . 0.0 109.666 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' B' ' 614' ' ' GLU . 1.4 mp0 -69.51 -36.25 76.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.747 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -101.51 21.47 14.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.096 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 5.9 tp10 -62.25 -34.08 75.83 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.706 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -56.17 -51.88 66.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.766 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -61.89 -42.37 98.99 Favored 'General case' 0 CA--C 1.52 -0.197 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -178.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.437 ' O ' HG12 ' B' ' 623' ' ' VAL . 11.2 tp10 -62.48 -35.01 77.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.239 177.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 42.8 mt -66.01 -43.65 87.05 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 120.8 0.333 . . . . 0.0 110.752 -178.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.251 0.548 . . . . 0.0 109.754 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 78.1 t -67.03 -51.38 54.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.717 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.501 HG11 ' HE2' ' A' ' 209' ' ' TYR . 14.4 p -64.61 -35.69 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 121.364 -0.135 . . . . 0.0 111.208 -176.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -67.32 -41.77 84.74 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.691 177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -65.59 -43.87 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.907 0.384 . . . . 0.0 110.023 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.476 HG23 ' HB ' ' B' ' 665' ' ' ILE . 86.0 m -58.39 -42.17 86.5 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.526 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.523 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -58.39 -59.95 4.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.018 175.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -54.66 -35.75 63.87 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.656 0.598 . . . . 0.0 111.973 -178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . 0.637 ' HA ' HH21 ' B' ' 632' ' ' ARG . . . -58.75 -58.67 7.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.999 0.428 . . . . 0.0 110.419 176.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' B' ' 634' ' ' LEU . 13.3 m -65.86 -29.89 70.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.982 -178.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.658 HD13 ' HB3' ' B' ' 700' ' ' LEU . 23.8 mm -55.08 -55.68 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.061 0.458 . . . . 0.0 110.478 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.637 HH21 ' HA ' ' B' ' 629' ' ' ALA . 68.5 mtm180 -63.49 -37.24 86.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.167 -176.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 629' ' ' ALA . 16.3 t -63.98 -50.03 79.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.263 0.554 . . . . 0.0 110.203 175.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.673 HD13 HG13 ' B' ' 693' ' ' VAL . 0.2 OUTLIER -62.2 -45.1 94.89 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.411 -176.424 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.425 ' HG2' HD21 ' B' ' 697' ' ' LEU . 38.7 mt-10 -63.24 -38.65 92.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.713 178.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.71 -47.44 83.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.976 0.417 . . . . 0.0 110.62 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.68 HG21 HD21 ' B' ' 654' ' ' LEU . 45.2 mm -64.37 -46.32 93.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.066 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -58.59 -37.05 74.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.146 0.498 . . . . 0.0 110.647 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -68.98 -35.77 77.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.848 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -77.42 -25.48 50.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.145 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 689' ' ' PRO . 64.3 mt -75.98 -70.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 23.3 t 53.67 42.3 31.88 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.999 -177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 71.14 96.75 0.07 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.316 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 66.7 mt -109.21 155.09 21.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.972 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 13.9 m -71.32 167.83 18.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.68 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.14 -47.06 75.6 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 0.0 111.539 -176.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.39 -31.48 72.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.194 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 31.7 mt-10 -79.76 -22.26 43.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.582 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' B' ' 690' ' ' SER . 66.5 mt-30 -70.02 -32.84 71.2 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 172.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -77.44 -27.17 52.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.232 171.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . 0.502 ' HB3' ' HA ' ' B' ' 648' ' ' GLU . 36.1 ttmt -66.97 -66.06 0.6 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.262 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -103.2 98.4 8.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.616 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.703 ' HG3' ' HD3' ' B' ' 689' ' ' PRO . 38.5 ttp-105 -125.66 161.07 28.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.418 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.68 HD21 HG21 ' B' ' 637' ' ' ILE . 64.5 mt -74.32 82.69 1.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.352 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -76.48 -62.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.25 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -144.78 9.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.071 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.9 m -66.85 -23.79 66.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.215 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.613 HD13 HD22 ' B' ' 654' ' ' LEU . 1.5 mp -86.52 -17.9 32.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -174.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -154.17 97.78 0.17 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 119.447 -1.358 . . . . 0.0 113.813 -174.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -84.24 -77.11 1.16 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 170.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 12.1 p -123.23 13.3 9.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.217 0.532 . . . . 0.0 110.803 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 9.5 p -134.32 42.39 2.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.563 -177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.613 ' OE2' ' HB2' ' B' ' 667' ' ' ARG . 3.5 tm-20 -85.19 -35.25 21.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.001 -173.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.9 p -49.19 -45.07 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.476 ' HB ' HG23 ' B' ' 626' ' ' THR . 17.2 pt -62.18 -30.94 49.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.877 0.37 . . . . 0.0 111.914 -177.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . 0.489 ' CE1' HG21 ' B' ' 633' ' ' VAL . 51.8 m-70 -79.1 -47.28 16.41 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -176.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.613 ' HB2' ' OE2' ' B' ' 663' ' ' GLU . 11.6 ttm180 -63.29 -38.84 92.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.894 176.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.78 -44.41 96.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.003 178.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -59.58 -43.93 93.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.771 0.319 . . . . 0.0 110.682 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.91 -39.4 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 48.6 mt-30 -68.83 -23.63 64.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.366 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -83.45 -31.85 26.36 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.662 0.267 . . . . 0.0 110.968 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.5 pt -90.46 -34.89 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.586 -178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.532 ' HD1' HG13 ' A' ' 216' ' ' ILE . 30.8 m-85 -117.78 36.11 4.44 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.879 179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . 0.446 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -34.0 -44.34 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -175.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -75.46 -31.74 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -172.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -139.71 36.39 2.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.515 0.674 . . . . 0.0 110.395 -174.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.538 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -65.3 -34.15 77.66 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.273 -177.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.42 -29.32 68.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.445 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.27 -43.27 70.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.125 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 33.6 mm -67.6 -33.33 61.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.114 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.538 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.4 mm -56.36 -47.03 81.97 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.34 176.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.68 -37.73 65.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.501 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.01 -47.28 91.78 Favored Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.936 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.686 HD21 HG21 ' B' ' 696' ' ' VAL . 47.4 mt -59.16 -38.8 80.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 111.154 178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -92.61 12.9 21.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.503 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.595 ' HB2' ' HZ3' ' B' ' 687' ' ' LYS . 0.3 OUTLIER -115.29 -46.62 2.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.583 177.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 -145.98 97.67 4.49 Favored Pre-proline 0 N--CA 1.45 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.196 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.703 ' HD3' ' HG3' ' B' ' 653' ' ' ARG . 47.6 Cg_endo -68.29 -37.42 13.95 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.836 2.357 . . . . 0.0 112.948 -179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . 0.441 ' CB ' ' HG2' ' B' ' 649' ' ' GLN . 15.6 t -72.19 -10.53 59.91 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.256 -0.278 . . . . 0.0 111.188 -174.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.576 HG12 HD12 ' A' ' 226' ' ' LEU . 36.8 mt -102.65 -57.75 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.984 175.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.615 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.51 -45.17 63.17 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.648 0.611 . . . . 0.0 112.648 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.673 HG13 HD13 ' B' ' 634' ' ' LEU . 52.9 t -54.32 -50.87 82.44 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.54 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 78.2 Cg_exo -52.01 -41.35 64.64 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 122.076 1.851 . . . . 0.0 112.58 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 23.7 mt -67.13 -56.79 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.147 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.686 HG21 HD21 ' B' ' 685' ' ' LEU . 3.2 m -63.5 -30.03 48.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.901 -178.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.61 HD23 ' HB3' ' B' ' 634' ' ' LEU . 3.3 tm? -59.43 -50.04 75.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 174.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -63.42 -39.58 94.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.394 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 19.7 mmt180 -62.29 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.595 178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.658 ' HB3' HD13 ' B' ' 631' ' ' ILE . 20.8 mt -63.95 -38.72 92.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.119 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.413 ' HE2' HG23 ' B' ' 631' ' ' ILE . 28.9 mmtp -72.95 -38.11 66.87 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.574 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.4 ttp -57.24 -47.25 81.84 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 109.701 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 21.4 mmtp -69.44 -30.62 68.58 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.535 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.69 ' O ' ' HG2' ' B' ' 708' ' ' ARG . 31.9 tt0 -60.19 -50.99 71.5 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -52.36 30.38 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 175.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -60.98 -49.97 75.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.03 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.465 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.6 m0 -69.29 -20.63 63.91 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.938 -177.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.69 ' HG2' ' O ' ' B' ' 704' ' ' GLU . 15.7 mmt180 -74.35 -36.18 63.61 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.2 174.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -67.03 -34.44 77.7 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.184 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 207' ' ' LEU . . . -71.88 -48.21 47.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.698 173.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -60.56 -54.61 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.942 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.774 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 21.6 mtm180 -73.27 -16.39 61.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.189 -176.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.73 -57.45 2.72 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.287 176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . 0.599 ' HZ ' ' HA ' ' A' ' 204' ' ' ALA . 90.9 m-85 -90.92 -64.64 1.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.42 -52.59 60.87 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -168.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.774 ' HB3' ' HA ' ' B' ' 712' ' ' ARG . 15.2 tppt? -59.76 -55.61 32.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 712' ' ' ARG . 42.9 t -57.0 -46.85 84.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.65 -177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -62.08 -42.91 99.69 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 12.3 ttm180 -62.42 -46.95 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 47.3 mm-40 -60.65 -41.96 96.03 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.118 0.485 . . . . 0.0 111.12 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.614 ' HB3' ' HG ' ' B' ' 727' ' ' LEU . 2.2 mp0 -70.19 -38.05 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.325 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -65.28 -38.84 91.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 48.8 mm-40 -62.87 -34.24 76.95 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -176.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -102.1 7.0 41.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.009 0.433 . . . . 0.0 110.834 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 3.5 t80 52.43 39.39 27.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.79 -1.096 . . . . 0.0 112.034 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . 0.447 ' CZ ' ' HA ' ' B' ' 728' ' ' LYS . 49.4 t80 -145.9 103.95 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.06 0.457 . . . . 0.0 110.12 178.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . 0.614 ' HG ' ' HB3' ' B' ' 721' ' ' GLN . 5.8 mp -94.52 18.11 11.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.807 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' B' ' 727' ' ' LEU . 25.4 tptp 73.1 122.43 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.914 0.759 . . . . 0.0 111.339 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.665 176.184 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 120.886 0.375 . . . . 0.0 110.22 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -156.77 85.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 176.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -84.48 94.35 8.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.283 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -101.85 22.02 13.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.624 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -81.09 99.5 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.79 -1.096 . . . . 0.0 110.466 -177.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.49 HD11 ' HB1' ' B' ' 710' ' ' ALA . 90.4 mt -97.65 147.93 23.83 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.611 -178.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . 0.426 ' O ' ' HB2' ' A' ' 209' ' ' TYR . 3.8 t-20 -101.25 -47.45 4.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.702 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 208' ' ' ASN . 79.9 m-85 70.13 161.53 0.22 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.93 0.769 . . . . 0.0 111.305 -176.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 38.4 tp 65.24 167.06 0.18 Allowed 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.426 176.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 210' ' ' LEU . 87.7 mt -105.91 150.18 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 172.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 37.1 p -75.67 165.18 25.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.835 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -56.85 -37.46 71.31 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.373 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.7 -50.49 73.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.663 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -60.01 -48.59 81.09 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.043 0.449 . . . . 0.0 110.826 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 68.4 mt -63.17 -50.04 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.13 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.474 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 35.6 tpp -66.05 -30.44 70.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.261 -178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . 0.462 ' CD ' HH21 ' A' ' 221' ' ' ARG . 7.6 tp10 -59.92 -46.5 89.16 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.873 175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -43.11 94.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.116 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.0 mp -58.39 -43.5 88.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.986 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 217' ' ' MET . 55.6 mtm180 -65.25 -40.74 94.38 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.977 0.418 . . . . 0.0 110.142 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.469 HG22 HD13 ' B' ' 695' ' ' ILE . 26.1 m -62.93 -40.31 97.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.181 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.482 HD23 HG22 ' B' ' 691' ' ' ILE . 75.6 mt -55.43 -39.19 69.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.331 175.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -85.97 7.85 22.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.394 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -95.91 -25.47 15.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.056 0.455 . . . . 0.0 110.09 174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' B' ' 691' ' ' ILE . 6.9 mp -100.6 -24.49 14.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.953 175.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -103.49 139.11 39.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.491 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.102 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 171.656 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.754 0.312 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . 0.622 ' HB3' ' HB ' ' B' ' 610' ' ' ILE . 13.0 m-80 -92.72 133.52 35.94 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -172.24 -25.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.447 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' B' ' 609' ' ' HIS . 0.0 OUTLIER -92.93 -56.0 3.15 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -173.246 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.413 ' H ' ' CD ' ' B' ' 608' ' ' GLU . 69.4 m80 -113.45 -16.74 12.38 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . 0.622 ' HB ' ' HB3' ' B' ' 606' ' ' ASN . 2.7 mp -90.91 121.62 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.977 0.418 . . . . 0.0 110.679 -176.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.472 ' HE1' ' HH2' ' B' ' 718' ' ' TRP . 26.7 t80 -116.4 121.1 40.92 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' B' ' 613' ' ' CYS . 29.9 mmm180 -98.09 149.39 22.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.266 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . 0.683 ' HB3' ' HB2' ' B' ' 616' ' ' GLU . 96.5 m 71.53 150.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.951 0.782 . . . . 0.0 110.561 -175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -95.27 -78.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.974 0.416 . . . . 0.0 110.438 -176.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.426 ' HB3' ' HB3' ' B' ' 618' ' ' PHE . 20.1 m-20 -116.57 44.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.997 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.683 ' HB2' ' HB3' ' B' ' 613' ' ' CYS . 4.8 tp10 -63.48 -52.0 63.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.753 0.787 . . . . 0.0 109.57 -175.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.437 HH12 ' CD ' ' B' ' 723' ' ' GLU . 30.0 ttm180 -66.26 -44.13 84.51 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.623 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' B' ' 615' ' ' ASP . 81.7 t80 -57.17 -47.79 80.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.661 ' O ' HG23 ' B' ' 623' ' ' VAL . 37.8 tt0 -58.42 -43.89 88.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.463 178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.511 ' O ' HD23 ' B' ' 624' ' ' LEU . 1.9 mm? -58.81 -51.98 67.66 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 -175.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.25 -36.52 81.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.282 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.43 -44.75 94.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.791 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 619' ' ' GLU . 91.8 t -57.73 -48.56 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.681 0.277 . . . . 0.0 110.35 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.511 HD23 ' O ' ' B' ' 620' ' ' LEU . 4.2 mm? -62.54 -44.06 97.27 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.016 -175.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -64.9 -44.5 89.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.073 0.463 . . . . 0.0 110.304 178.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 669' ' ' ALA . 42.4 m -61.45 -40.0 92.9 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.488 0.661 . . . . 0.0 110.187 177.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.526 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.07 -55.31 34.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.469 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -34.47 69.2 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.547 0.529 . . . . 0.0 111.323 -177.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -66.58 -45.36 79.5 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.171 0.51 . . . . 0.0 110.377 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.458 ' HA ' HG12 ' B' ' 633' ' ' VAL . 20.1 m -69.67 -33.44 72.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.546 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.526 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.1 mm -59.07 -56.23 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.434 174.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -60.49 -40.37 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.121 -175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.56 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.5 p -68.58 -41.56 82.99 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.098 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 46.3 mt -67.73 -43.88 78.91 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.387 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.488 ' HA ' HD11 ' B' ' 697' ' ' LEU . 35.0 mt-10 -63.74 -34.47 77.95 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.361 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.04 -47.1 84.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.034 0.445 . . . . 0.0 110.268 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.678 HG21 HD21 ' B' ' 654' ' ' LEU . 46.2 mm -61.18 -51.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.19 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.18 -28.83 69.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.726 0.298 . . . . 0.0 111.098 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -73.43 -33.8 65.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.937 0.398 . . . . 0.0 110.307 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -74.61 -33.93 62.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.291 175.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' B' ' 689' ' ' PRO . 89.7 mt -69.37 -70.76 0.26 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.335 176.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 50.7 m 45.94 53.12 9.33 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.351 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 47.3 mtp85 66.76 81.03 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.775 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.593 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 86.5 mt -104.78 155.75 18.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.607 175.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 15.2 m -79.76 164.31 23.78 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.33 -38.64 68.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.712 0.291 . . . . 0.0 111.55 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -59.02 -45.02 91.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.315 0.579 . . . . 0.0 110.557 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.593 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 32.9 mt-10 -70.92 -31.57 68.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.461 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.596 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 78.4 mt-30 -73.18 -26.85 61.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.778 178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.28 77.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.368 0.604 . . . . 0.0 109.381 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . 0.434 ' HB3' ' HE2' ' B' ' 651' ' ' LYS . 35.8 ttpt -63.05 -49.48 74.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.674 176.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -124.15 98.98 6.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.046 0.45 . . . . 0.0 110.407 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.596 ' HB2' ' O ' ' B' ' 649' ' ' GLN . 28.4 ttm180 -127.08 158.46 36.94 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.887 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.678 HD21 HG21 ' B' ' 637' ' ' ILE . 53.4 mt -62.02 128.93 38.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.528 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -148.65 -81.86 0.12 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.531 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -86.46 -8.76 57.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.285 0.564 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.8 p -71.23 -37.36 72.02 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.168 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -99.17 -24.78 14.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.015 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -100.24 -157.33 28.07 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.319 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 87.1 -142.83 18.5 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.101 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 10.7 t -77.07 -13.69 59.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.186 0.517 . . . . 0.0 110.621 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 23.0 m -105.57 20.59 18.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.412 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.91 -48.23 54.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.087 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 3.3 p -52.98 -47.64 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.155 -175.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.0 pt -63.98 -34.62 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.702 0.287 . . . . 0.0 111.552 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -75.72 -42.21 51.41 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.539 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -68.71 -39.87 80.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.362 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' B' ' 672' ' ' ARG . 22.4 ttmm -62.46 -50.17 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.234 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.439 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.14 -36.65 82.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' B' ' 670' ' ' LEU . 0.2 OUTLIER -65.08 -37.78 88.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.064 0.459 . . . . 0.0 110.339 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -73.67 -23.69 59.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 122.279 -0.263 . . . . 0.0 111.123 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 668' ' ' LYS . 21.2 mmm180 -72.27 -6.75 45.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.748 0.309 . . . . 0.0 111.018 176.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.624 HG22 ' HG3' ' B' ' 703' ' ' LYS . 12.3 pt -125.19 -47.65 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -116.48 39.06 3.23 Favored 'General case' 0 C--O 1.221 -0.439 0 O-C-N 122.388 -0.195 . . . . 0.0 110.659 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.85 -60.11 0.32 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -84.25 -10.0 58.04 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -170.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -129.36 23.72 5.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.874 0.369 . . . . 0.0 110.805 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.48 -37.08 86.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -175.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.49 -34.77 73.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.363 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.96 -47.99 60.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.055 0.455 . . . . 0.0 109.982 -178.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.7 mm -68.48 -49.15 68.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.63 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.461 ' HA ' HD12 ' B' ' 685' ' ' LEU . 95.0 mt -62.51 -38.83 82.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.919 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.99 -32.63 67.4 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -64.77 -33.36 87.02 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.899 176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' B' ' 682' ' ' ILE . 86.8 mt -60.91 -35.22 76.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.114 0.483 . . . . 0.0 110.144 173.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.447 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 46.5 mmm-85 -77.6 -32.54 53.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.899 178.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -64.9 -55.41 19.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -152.64 102.5 2.71 Favored Pre-proline 0 N--CA 1.452 -0.349 0 CA-C-O 121.199 0.523 . . . . 0.0 110.99 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.555 ' HB2' HD11 ' B' ' 641' ' ' LEU . 42.5 Cg_endo -67.52 -29.55 36.96 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 123.0 2.466 . . . . 0.0 113.407 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 88.5 p -72.59 -13.93 61.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.847 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 226' ' ' LEU . 66.6 mt -99.8 -66.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.897 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -68.32 -40.93 81.51 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -170.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.673 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.0 t -53.43 -56.08 28.12 Favored Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.673 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 48.0 Cg_exo -58.23 -41.83 62.81 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.042 1.828 . . . . 0.0 113.358 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.469 HD13 HG22 ' A' ' 222' ' ' THR . 26.9 mt -69.39 -51.01 46.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.129 0.49 . . . . 0.0 110.424 -177.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 2.1 p -65.84 -31.1 52.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.251 -177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 2.5 tt -65.7 -48.23 72.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.953 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 55.3 mttp -63.03 -38.71 92.28 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.826 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.84 -42.71 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.271 0.558 . . . . 0.0 109.923 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.403 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 53.1 tp -69.14 -31.85 70.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.617 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.498 ' HD2' HD12 ' B' ' 631' ' ' ILE . 8.3 tptp -70.55 -37.04 73.97 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 49.8 ttp -59.99 -41.39 91.93 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.552 0.691 . . . . 0.0 109.805 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.624 ' HG3' HG22 ' B' ' 673' ' ' ILE . 52.4 mmtt -73.0 -29.38 62.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.09 177.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.95 -47.11 87.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 38.5 mt-10 -54.71 -49.07 71.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.884 175.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.11 -55.97 27.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.337 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 10.9 m0 -65.98 -42.2 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.496 ' HA ' HD11 ' B' ' 624' ' ' LEU . 31.8 tpt180 -68.24 -38.08 81.46 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.659 -176.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -68.33 -34.39 76.02 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' ' 207' ' ' LEU . . . -63.44 -46.82 84.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.545 175.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.51 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 16.5 tt0 -65.08 -41.23 95.21 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-O 121.17 0.509 . . . . 0.0 109.794 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -62.45 -49.01 77.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.408 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.78 -47.12 6.42 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 121.171 -0.537 . . . . 0.0 113.221 -176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . 0.426 ' O ' ' HB2' ' B' ' 718' ' ' TRP . 86.0 t80 -89.94 -65.5 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.205 0.502 . . . . 0.0 111.927 -177.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.447 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 24.9 t-20 -57.0 -58.03 9.94 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -169.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -62.79 -51.29 67.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.668 -175.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.443 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 65.4 t -64.3 -33.78 64.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.015 -177.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . 0.472 ' HH2' ' HE1' ' B' ' 611' ' ' TYR . 3.2 t90 -64.91 -37.45 87.69 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 18.0 mtp180 -64.4 -51.09 64.98 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.96 -19.34 60.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.82 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' B' ' 717' ' ' VAL . 50.0 mt-30 -90.33 -49.46 6.53 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.636 0.236 . . . . 0.0 111.636 175.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -80.31 -44.87 18.82 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -172.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 3.6 mm-40 -70.66 -26.43 63.45 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.096 0.474 . . . . 0.0 110.167 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -100.16 143.62 30.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.951 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . 0.594 ' HB3' ' HB3' ' B' ' 729' ' ' SER . 53.2 m-85 -70.56 137.1 49.79 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.215 -177.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . 0.429 ' CD2' ' HG ' ' B' ' 727' ' ' LEU . 17.5 t80 -135.67 120.44 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.732 -172.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' B' ' 726' ' ' TYR . 71.0 mt 67.73 30.87 6.22 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.785 171.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -164.18 -34.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . 0.594 ' HB3' ' HB3' ' B' ' 725' ' ' TYR . 8.2 t . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.699 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.7 p . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -74.68 -22.43 58.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.946 -177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -111.2 26.72 10.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.818 174.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . 61.08 -165.54 0.22 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.826 -178.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -156.19 111.21 2.89 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 84.2 mt -80.22 78.86 6.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -87.02 -48.08 8.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.999 -177.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.423 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 54.6 m-85 69.58 -71.43 0.12 Allowed 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.895 0.747 . . . . 0.0 111.27 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.66 156.08 38.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.533 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 63.1 mt -97.13 132.01 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 169.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.8 m -65.81 156.67 32.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.411 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -47.45 -47.48 27.03 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -173.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -64.73 -25.89 68.13 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -69.02 -52.35 29.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.5 ' CG2' ' HB2' ' B' ' 677' ' ' LYS . 76.1 mt -59.01 -47.54 89.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.662 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.556 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 46.9 ttm -60.45 -41.67 94.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.851 -179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.65 -46.69 80.9 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.614 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.629 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 87.4 m-20 -60.38 -48.32 82.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.805 179.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.482 HD12 HD11 ' B' ' 681' ' ' ILE . 8.3 mp -55.56 -40.03 71.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.986 0.422 . . . . 0.0 111.321 177.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 217' ' ' MET . 2.7 mmp_? -79.27 -17.14 55.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 64.0 m -84.86 -40.34 17.22 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.285 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 75.1 mt -56.82 -43.11 80.69 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.244 0.545 . . . . 0.0 110.94 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -90.67 13.88 14.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.353 0.597 . . . . 0.0 110.928 -175.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -107.34 -27.21 10.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.966 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.718 HD12 HG23 ' B' ' 691' ' ' ILE . 84.1 mt -83.34 39.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -173.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -83.67 103.87 13.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.963 0.411 . . . . 0.0 110.367 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.323 -0.846 . . . . 0.0 109.54 174.197 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 120.744 0.307 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -143.92 118.96 10.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.206 0.527 . . . . 0.0 109.878 176.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -69.69 -48.57 59.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.29 -177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -107.16 -171.39 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.333 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -93.15 -14.14 27.56 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.017 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 47.6 mm 73.16 108.92 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 O-C-N 123.87 0.732 . . . . 0.0 111.988 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -138.87 84.98 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.281 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 612' ' ' ARG . 13.9 mmm180 -101.48 162.44 12.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.756 -178.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 17.4 t 58.93 66.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.792 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.04 8.99 9.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.304 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 6.6 t0 70.48 99.87 0.06 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.878 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -70.58 -39.02 74.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.092 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -63.99 -42.67 97.12 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.529 176.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -52.5 -44.86 65.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.539 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.03 -46.51 87.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.742 178.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 96.6 mt -73.97 -43.1 59.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.185 0.517 . . . . 0.0 111.82 -174.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . 0.426 ' O ' ' HG2' ' B' ' 625' ' ' GLU . 5.7 t0 -63.22 -47.2 83.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.69 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.03 -45.27 91.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.556 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.441 HG13 HD22 ' B' ' 624' ' ' LEU . 14.5 p -61.79 -38.95 81.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.023 -177.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.1 mm? -66.54 -46.76 75.06 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.673 0.273 . . . . 0.0 111.266 177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' B' ' 621' ' ' ASP . 43.7 mm-40 -62.67 -45.87 90.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.257 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.587 HG22 ' HB2' ' B' ' 669' ' ' ALA . 25.1 m -60.68 -40.15 91.06 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.32 0.581 . . . . 0.0 110.295 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.57 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.1 t-20 -59.54 -55.78 30.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.267 176.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.494 HD23 HH21 ' B' ' 708' ' ' ARG . 1.0 OUTLIER -58.56 -42.97 89.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.971 -175.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.04 92.4 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.345 0.593 . . . . 0.0 110.768 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 32.0 m -69.07 -35.7 76.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.656 177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.57 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.4 mm -56.96 -49.28 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.147 173.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 54.4 mtp180 -53.6 -55.75 23.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.534 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.689 ' O ' HG12 ' B' ' 637' ' ' ILE . 13.4 p -65.1 -38.62 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.174 -176.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.881 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.1 mm? -62.3 -48.57 79.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.59 0.233 . . . . 0.0 111.492 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.66 -32.54 74.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.814 0.34 . . . . 0.0 110.291 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.56 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.673 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.689 HG12 ' O ' ' B' ' 633' ' ' VAL . 49.4 mm -63.82 -52.89 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.84 179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.44 -34.1 72.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.013 0.435 . . . . 0.0 110.455 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -61.53 -49.01 78.44 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.702 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.72 -38.5 83.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.021 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -61.82 -60.15 4.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.933 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 48.9 m 58.7 23.37 11.0 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.842 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 643' ' ' ARG . 32.4 mtp-105 67.57 91.73 0.09 Allowed 'General case' 0 C--O 1.233 0.203 0 O-C-N 123.791 0.682 . . . . 0.0 110.972 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.62 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 93.1 mt -101.39 164.94 11.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.034 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 15.3 t -74.49 167.48 21.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.092 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.57 -50.12 63.6 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -61.84 -33.93 75.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.059 0.457 . . . . 0.0 110.616 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.62 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 49.2 mt-10 -74.19 -32.76 63.2 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.601 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -69.95 -25.4 63.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.332 0.586 . . . . 0.0 110.655 176.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -81.95 -33.04 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.32 173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 4.4 tmmm? -73.42 -59.17 2.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.006 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -101.77 97.68 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 24.0 ttm180 -122.19 159.84 26.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.658 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.582 ' HG ' HD12 ' B' ' 658' ' ' LEU . 2.3 mm? -82.72 85.87 6.97 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.263 0.554 . . . . 0.0 111.237 -173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -114.33 -27.88 7.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.623 172.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -83.18 -3.24 57.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.637 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 15.3 t -159.16 171.21 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.435 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.582 HD12 ' HG ' ' B' ' 654' ' ' LEU . 72.1 mt 62.72 17.21 9.6 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.647 0.592 . . . . 0.0 110.653 -172.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -170.51 150.16 13.87 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 84.64 -95.62 1.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.885 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 20.1 p -79.32 124.61 28.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.786 0.326 . . . . 0.0 111.484 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 20.3 m 66.17 19.34 11.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.0 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -75.44 -25.78 57.77 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.257 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 4.2 p -53.65 -48.6 59.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.134 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.64 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 23.5 pt -70.34 -32.83 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.813 0.34 . . . . 0.0 111.425 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -79.03 -42.15 27.19 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.018 -176.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.653 ' HG3' HD13 ' B' ' 682' ' ' ILE . 56.8 ttm-85 -65.27 -42.62 93.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -65.54 -38.53 89.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.745 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.587 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -65.78 -40.07 91.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.378 . . . . 0.0 110.818 178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.469 HD12 HG12 ' B' ' 682' ' ' ILE . 85.6 mt -71.89 -35.56 69.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.897 179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -70.78 -24.31 62.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.75 0.31 . . . . 0.0 110.749 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -65.43 -36.99 85.59 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.852 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.559 HG21 ' HG3' ' B' ' 703' ' ' LYS . 17.7 pt -101.24 -34.25 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.983 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.423 ' CD2' HG13 ' B' ' 673' ' ' ILE . 81.3 m-85 -105.38 32.28 4.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.742 -0.208 . . . . 0.0 110.791 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.13 -40.22 0.2 Allowed 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -82.08 -49.65 9.96 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.5 ' HB2' ' CG2' ' A' ' 216' ' ' ILE . 74.5 mmtt -118.88 33.52 5.61 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -172.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.7 -29.68 70.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.674 0.273 . . . . 0.0 111.492 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -54.4 -37.89 65.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.358 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -86.47 -29.7 22.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.108 -177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 220' ' ' LEU . 45.0 mm -70.79 -45.21 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.012 0.435 . . . . 0.0 110.771 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.653 HD13 ' HG3' ' B' ' 667' ' ' ARG . 91.9 mt -64.51 -44.2 96.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.094 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -62.75 -33.78 75.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.01 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -50.59 -48.09 43.67 Favored Glycine 0 C--N 1.333 0.405 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.902 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.39 -34.11 76.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.897 0.38 . . . . 0.0 111.362 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.491 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 58.2 mtp180 -98.95 17.06 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.418 ' HG2' ' OD1' ' B' ' 688' ' ' ASN . 32.5 ttpt -128.79 -53.52 1.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.561 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.455 ' HB3' ' HB ' ' B' ' 691' ' ' ILE . 19.8 m120 -128.82 83.48 66.06 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.736 178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.561 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 35.6 Cg_endo -64.96 -39.28 25.27 Favored 'Trans proline' 0 CA--C 1.532 0.397 0 C-N-CA 122.181 1.921 . . . . 0.0 113.382 -174.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 7.6 t -79.56 0.85 28.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.209 0.528 . . . . 0.0 110.342 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.718 HG23 HD12 ' A' ' 226' ' ' LEU . 63.1 mt -111.74 -61.19 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.674 178.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -76.18 -44.94 35.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.229 -173.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 55.2 t -48.85 -55.33 20.74 Favored Pre-proline 0 CA--C 1.536 0.41 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -174.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.2 Cg_endo -56.94 -43.51 53.45 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 121.827 1.685 . . . . 0.0 112.79 178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.523 HD12 HD23 ' A' ' 223' ' ' LEU . 60.0 mt -68.75 -53.26 27.99 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-O 120.955 0.407 . . . . 0.0 110.888 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.11 -38.78 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.362 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.881 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.1 tt -63.81 -44.37 93.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.08 179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.28 -35.83 80.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.819 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.422 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 37.1 mmt180 -62.99 -37.52 87.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.177 0.513 . . . . 0.0 109.866 175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 67.6 mt -66.08 -32.57 74.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.999 175.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -72.52 -34.95 67.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.65 0.262 . . . . 0.0 110.743 176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 4.7 ttm -59.77 -47.02 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.345 0.593 . . . . 0.0 109.754 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.559 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.8 mmtt -72.63 -29.89 63.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.298 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -55.08 -50.08 70.05 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 171.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -57.3 -48.5 78.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -59.49 -55.36 35.59 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.423 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 17.3 m0 -68.06 -34.37 76.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.997 -174.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.494 HH21 HD23 ' B' ' 628' ' ' LEU . 33.3 mmt180 -68.19 -35.64 78.32 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.838 178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -73.46 -36.28 65.83 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.769 0.319 . . . . 0.0 110.385 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.43 -46.27 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.244 0.545 . . . . 0.0 109.924 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -63.35 -38.93 93.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.117 175.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.628 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 44.0 ttt180 -54.15 -40.04 67.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.315 -178.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -70.87 -52.56 14.13 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.746 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -89.16 -67.46 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -173.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -79.94 -35.12 38.21 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.628 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 4.2 tmtm? -62.37 -51.52 67.25 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.34 -41.76 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.611 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.45 -47.69 75.65 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.414 . . . . 0.0 110.953 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' B' ' 719' ' ' ARG . 32.6 tpt85 -60.4 -43.22 96.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.006 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 26.7 mt-10 -72.34 -29.48 63.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.232 -179.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.829 HE21 ' HA ' ' B' ' 721' ' ' GLN . 0.0 OUTLIER -80.5 -11.12 59.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.139 0.495 . . . . 0.0 110.673 175.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -80.77 -35.54 33.09 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 169.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.76 -63.34 1.15 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.747 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -96.13 155.28 16.82 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -124.56 -178.45 4.13 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -78.73 104.54 9.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.102 0.477 . . . . 0.0 110.835 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.7 mt -81.51 165.27 21.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.154 178.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' B' ' 728' ' ' LYS . 11.8 mptt -114.55 172.56 6.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.583 -176.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.251 1.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.873 179.714 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -114.9 109.06 17.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.666 0.27 . . . . 0.0 110.326 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -87.08 165.54 15.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.655 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . 0.482 ' HB3' ' HA ' ' B' ' 710' ' ' ALA . . . -128.51 178.93 5.95 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.85 0.357 . . . . 0.0 110.977 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -98.64 130.25 45.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.272 -176.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.547 ' HB3' ' HE2' ' A' ' 209' ' ' TYR . 95.5 mt -109.48 98.56 7.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.609 -176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -95.4 -58.79 2.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.226 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.547 ' HE2' ' HB3' ' A' ' 207' ' ' LEU . 89.8 m-85 71.69 -50.04 0.69 Allowed 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.292 0.637 . . . . 0.0 112.214 177.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 48.1 tp -86.41 168.37 13.86 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.431 ' N ' ' HG ' ' A' ' 210' ' ' LEU . 91.4 mt -114.0 145.04 42.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 170.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 4.0 m -60.74 147.56 41.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.719 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.13 -40.39 46.03 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.122 0.487 . . . . 0.0 110.528 179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -54.0 -46.75 71.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.756 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.53 -47.56 69.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.77 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.481 HG12 ' HD1' ' B' ' 674' ' ' TYR . 59.2 mt -56.56 -49.68 76.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.182 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.5 ' HG2' ' HD3' ' A' ' 221' ' ' ARG . 48.2 ttm -72.8 -28.7 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.664 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -61.62 -49.3 77.12 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.7 m-20 -58.11 -52.25 66.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.729 176.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 47.2 tp -55.25 -40.69 71.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.908 -179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.5 ' HD3' ' HG2' ' A' ' 217' ' ' MET . 11.5 mtp180 -73.18 -38.75 66.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.44 179.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.701 ' HA ' ' HD2' ' A' ' 225' ' ' LYS . 95.3 m -64.82 -30.27 71.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.124 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -59.21 -19.66 47.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.321 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -103.82 -6.56 21.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.025 0.44 . . . . 0.0 110.583 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . 0.701 ' HD2' ' HA ' ' A' ' 222' ' ' THR . 60.4 mttm -89.24 -14.81 35.07 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.46 -4.91 16.59 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -170.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -143.35 89.49 2.09 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.158 0.504 . . . . 0.0 110.166 173.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.054 -177.863 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 33.6 t . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -99.19 21.23 12.15 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 0.0 110.171 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 64.47 -80.9 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.056 -0.974 . . . . 0.0 112.367 175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -94.44 -17.44 22.49 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -171.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 25.4 t60 65.51 93.04 0.07 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -169.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 9.6 pt -61.74 119.14 5.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.46 0.647 . . . . 0.0 110.99 -179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -85.27 62.02 7.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.285 -173.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -120.49 -20.22 7.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 1.1 p -73.13 -22.25 60.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.322 0.582 . . . . 0.0 110.125 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 49.3 mp0 -80.52 2.85 23.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.219 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -81.35 13.15 3.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.886 0.851 . . . . 0.0 109.613 176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -77.87 -33.77 51.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.366 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -61.65 -38.34 87.37 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.343 -174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -53.79 -48.64 69.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 0.0 110.041 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -62.95 -42.27 99.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.253 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.504 ' HA ' HG12 ' B' ' 623' ' ' VAL . 3.9 mm? -64.58 -45.57 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.434 -176.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -63.49 -42.62 98.53 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.156 0.503 . . . . 0.0 109.941 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.27 -45.36 86.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.562 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.2 p -68.87 -37.01 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.236 -176.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -65.79 -45.09 83.73 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.84 177.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -56.87 -50.12 73.43 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.479 0.657 . . . . 0.0 109.804 176.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.712 HG23 ' HB ' ' B' ' 665' ' ' ILE . 94.5 m -63.82 -43.7 95.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.872 -1.058 . . . . 0.0 111.549 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.519 ' OD1' ' HA ' ' B' ' 704' ' ' GLU . 3.4 t-20 -56.29 -59.37 5.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.022 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.494 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.5 tt -65.91 -30.37 70.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.725 -173.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 633' ' ' VAL . . . -60.29 -50.75 72.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.039 0.447 . . . . 0.0 109.842 173.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 14.4 m -63.39 -34.68 78.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.445 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.532 HD12 ' HD2' ' B' ' 701' ' ' LYS . 33.3 mm -52.39 -52.71 23.64 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-O 121.156 0.503 . . . . 0.0 110.398 173.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 74.2 mtp180 -65.11 -30.03 70.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.992 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 629' ' ' ALA . 41.1 t -64.67 -64.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.269 178.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' B' ' 697' ' ' LEU . 3.4 mm? -58.37 -38.98 78.35 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.381 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 1.3 mm-40 -59.83 -48.23 82.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.649 177.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -64.63 -36.96 85.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.712 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.495 HG13 ' O ' ' B' ' 633' ' ' VAL . 81.5 mt -64.74 -47.69 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 177.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -59.79 -39.29 84.47 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 67.3 mttm -63.31 -41.0 98.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.546 177.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -70.17 -36.79 74.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.166 179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 95.9 mt -64.81 -60.13 3.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.987 179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 52.8 m 56.35 24.76 8.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.813 0.339 . . . . 0.0 110.983 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . 0.488 ' HG2' ' HB3' ' B' ' 690' ' ' SER . 66.7 mtt180 54.96 65.49 1.49 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.326 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.698 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.4 mt -65.57 166.67 10.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.217 174.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 14.7 m -65.69 162.52 18.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -52.83 -45.04 67.12 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.004 0.43 . . . . 0.0 111.801 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -61.25 -39.38 90.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.698 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 33.1 mt-10 -79.82 -22.52 42.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.457 -177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -73.49 -27.47 61.4 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.027 0.441 . . . . 0.0 110.062 173.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.14 -34.03 59.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.961 170.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -57.77 -58.48 8.18 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.276 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -107.19 80.4 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.845 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -98.66 153.71 18.49 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' B' ' 685' ' ' LEU . 8.4 mp -75.27 58.54 0.96 Allowed 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -174.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -114.34 -3.8 13.06 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.321 0.581 . . . . 0.0 110.159 175.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -105.27 1.19 27.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.515 177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' B' ' 658' ' ' LEU . 19.0 m -145.17 152.04 39.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.155 -178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' B' ' 657' ' ' THR . 82.6 mt 71.27 21.11 4.81 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.608 0.568 . . . . 0.0 111.09 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -145.78 139.38 8.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.621 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 78.46 -91.83 1.17 Allowed Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.697 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 19.3 p -72.29 136.2 46.2 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.437 0.16 . . . . 0.0 111.198 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 78.3 p 51.26 26.36 2.94 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.555 0.742 . . . . 0.0 111.719 -178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.55 -40.59 66.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 5.3 p -53.89 -47.89 63.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.879 -175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.712 ' HB ' HG23 ' B' ' 626' ' ' THR . 25.2 pt -68.55 -41.63 83.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.689 0.281 . . . . 0.0 111.168 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -70.63 -43.75 68.59 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.926 0.393 . . . . 0.0 110.458 -176.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' B' ' 667' ' ' ARG . 16.7 ttm-85 -65.53 -42.03 92.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.051 178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.67 -45.54 93.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.85 96.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.789 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.65 HD12 HD11 ' B' ' 673' ' ' ILE . 12.8 tp -71.03 -33.98 70.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.353 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.614 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 33.4 mt-30 -69.41 -24.61 63.87 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.637 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -78.25 -27.87 47.65 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.275 -0.57 . . . . 0.0 111.901 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.65 HD11 HD12 ' B' ' 670' ' ' LEU . 32.6 pt -95.31 -32.18 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.303 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.481 ' HD1' HG12 ' A' ' 216' ' ' ILE . 32.6 m-85 -122.66 48.59 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . 0.614 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -31.78 -53.09 0.26 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.968 1.47 . . . . 0.0 114.968 -177.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -90.67 -37.25 13.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -173.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -110.11 25.17 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -61.25 -44.31 97.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.786 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.4 -31.59 72.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.336 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -69.48 -43.95 72.15 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.049 0.452 . . . . 0.0 110.096 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.99 -47.18 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.606 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' B' ' 685' ' ' LEU . 98.8 mt -61.09 -42.15 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.78 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -60.07 -43.43 95.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.041 175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.04 -42.02 98.23 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.291 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.646 HD21 HG11 ' B' ' 696' ' ' VAL . 58.7 mt -56.04 -38.32 70.41 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -79.08 -52.83 7.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.826 0.346 . . . . 0.0 110.754 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.498 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 11.4 ttmt -59.4 -51.86 68.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.076 -173.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -133.31 82.95 51.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.24 -50.63 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.464 2.11 . . . . 0.0 113.085 -173.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . 0.488 ' HB3' ' HG2' ' B' ' 643' ' ' ARG . 24.2 m -66.57 -10.12 42.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.656 0.265 . . . . 0.0 111.669 -176.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 36.3 mt -91.72 -45.81 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.83 0.347 . . . . 0.0 110.571 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -84.09 -40.59 18.1 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -175.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.666 HG12 ' HD3' ' B' ' 694' ' ' PRO . 2.9 p -59.37 -36.04 36.91 Favored Pre-proline 0 CA--C 1.549 0.915 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.666 ' HD3' HG12 ' B' ' 693' ' ' VAL . 11.7 Cg_exo -72.31 -40.98 2.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 121.493 1.462 . . . . 0.0 111.697 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 15.1 mt -67.52 -51.14 54.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.393 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.646 HG11 HD21 ' B' ' 685' ' ' LEU . 4.3 p -65.07 -33.82 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.37 -175.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.491 HD21 ' HG2' ' B' ' 635' ' ' GLU . 56.4 tp -72.72 -34.9 67.41 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.614 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -65.16 -45.21 85.85 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.837 0.351 . . . . 0.0 110.229 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.447 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 29.8 mmt180 -62.6 -39.73 94.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.277 0.56 . . . . 0.0 109.874 177.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 27.4 tp -66.51 -32.45 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.615 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.532 ' HD2' HD12 ' B' ' 631' ' ' ILE . 4.8 mptp? -71.9 -37.62 70.08 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.5 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.4 ttp -63.47 -40.07 96.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.743 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.423 ' HE2' HG22 ' B' ' 673' ' ' ILE . 15.7 mmtm -70.12 -33.45 71.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.081 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.519 ' HA ' ' OD1' ' B' ' 627' ' ' ASN . 32.7 tt0 -55.72 -43.88 76.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.182 0.515 . . . . 0.0 109.749 174.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -67.1 -42.42 84.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.486 178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' B' ' 709' ' ' GLU . 35.4 tt0 -59.5 -48.9 79.88 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.05 0.452 . . . . 0.0 111.121 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -71.95 -28.91 63.76 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.176 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -64.69 -39.25 93.33 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 171.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 706' ' ' GLU . 27.7 mm-40 -56.89 -49.47 75.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.576 174.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . 0.482 ' HA ' ' HB3' ' A' ' 205' ' ' ALA . . . -65.76 -43.11 89.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.093 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.48 -37.07 85.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.641 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 58.5 mtm-85 -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.647 -0.252 . . . . 0.0 111.372 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -86.57 -48.71 4.4 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.952 175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -88.73 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.77 -42.07 67.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -169.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.519 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 53.9 tttm -61.8 -57.32 12.33 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.6 t -57.93 -38.35 65.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 44.7 t-105 -54.94 -56.19 22.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.654 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -63.58 -39.63 94.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.678 0.275 . . . . 0.0 111.209 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 25.4 mt-10 -63.24 -34.97 78.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.479 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -89.04 -13.95 37.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.986 0.422 . . . . 0.0 110.32 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.4 -38.51 26.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.06 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -75.94 -43.27 45.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.559 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' B' ' 720' ' ' GLU . 24.8 pttm -117.3 157.94 25.23 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -178.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -126.43 -68.97 0.79 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -122.7 147.54 46.35 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.08 37.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.53 -174.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -160.76 147.11 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.184 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.812 -0.613 . . . . 0.0 109.384 174.182 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.767 0.318 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -99.48 141.09 32.72 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . 58.54 -161.79 0.24 Allowed 'General case' 0 C--O 1.237 0.406 0 O-C-N 123.566 0.541 . . . . 0.0 111.108 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -150.74 103.75 3.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.258 177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -77.31 90.48 3.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.415 0.626 . . . . 0.0 109.812 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 35.4 mt -64.46 136.78 57.41 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.86 -177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -76.7 84.56 3.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.735 0.779 . . . . 0.0 109.964 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -66.12 -48.27 71.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.974 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.482 HD23 ' O ' ' B' ' 672' ' ' ARG . 76.7 mt -72.76 139.14 46.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.177 177.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 96.6 mt -79.02 155.5 28.82 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 175.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 46.7 p -73.4 152.24 40.88 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.415 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -54.89 -31.61 60.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.971 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.12 -54.64 38.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.622 177.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -66.03 -34.69 78.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.007 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.41 ' O ' HD13 ' A' ' 220' ' ' LEU . 77.5 mt -64.59 -51.3 69.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.778 178.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 66.7 mtt -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.315 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.16 -52.3 65.85 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.328 174.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.72 -51.33 69.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.264 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' ' 216' ' ' ILE . 10.2 mp -53.75 -45.91 70.72 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.569 178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.666 ' HA ' ' HE ' ' A' ' 221' ' ' ARG . 1.6 mmp_? -70.47 -32.62 70.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.939 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 77.7 m -67.19 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.703 0.287 . . . . 0.0 110.864 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.476 ' HA ' HG21 ' B' ' 691' ' ' ILE . 88.3 mt -59.18 -20.7 56.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.11 176.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -107.38 -21.37 12.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.378 0.609 . . . . 0.0 109.893 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -98.69 8.05 45.39 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.08 -169.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.565 HD23 HG12 ' B' ' 691' ' ' ILE . 31.7 tp -70.79 130.9 42.9 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.057 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -109.65 113.79 26.86 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.399 0.619 . . . . 0.0 111.318 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.822 175.716 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.815 0.341 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -125.41 144.01 50.72 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -67.48 173.85 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.765 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -73.94 5.52 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 35.2 m170 -86.64 49.57 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 174.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.67 102.07 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.13 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -81.55 129.05 34.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.247 0.546 . . . . 0.0 110.44 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -125.22 170.06 11.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.247 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . 0.477 ' HB2' ' CB ' ' B' ' 616' ' ' GLU . 4.8 p -68.64 115.86 8.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.14 -66.27 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.08 -172.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -106.62 16.52 24.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.923 -170.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' B' ' 613' ' ' CYS . 42.1 tt0 -71.34 -63.32 1.14 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.052 0.453 . . . . 0.0 109.958 -172.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' B' ' 617' ' ' ARG . 9.0 ttp180 -64.3 -33.96 77.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.71 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -57.6 -54.39 47.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.982 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.413 ' CD ' HH12 ' B' ' 672' ' ' ARG . 39.3 tt0 -69.01 -29.84 68.11 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.732 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.426 ' HA ' HG12 ' B' ' 623' ' ' VAL . 1.4 mm? -66.22 -43.12 87.58 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.905 0.383 . . . . 0.0 110.554 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.11 -41.45 81.76 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.074 0.464 . . . . 0.0 109.953 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.85 -48.01 88.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.498 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.3 p -65.53 -36.1 76.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.054 -177.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.6 mm? -66.85 -40.42 87.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 110.6 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -61.39 -48.43 81.28 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.557 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.582 HG22 ' HB2' ' B' ' 669' ' ' ALA . 29.8 m -61.07 -41.91 97.5 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.454 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.481 ' O ' HG12 ' B' ' 631' ' ' ILE . 4.3 t-20 -58.07 -61.06 2.82 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.705 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.39 -41.16 72.27 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -176.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.72 -50.56 73.0 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.077 0.465 . . . . 0.0 110.887 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 58.8 m -67.11 -35.39 79.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.849 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.482 ' O ' ' HG3' ' B' ' 635' ' ' GLU . 24.9 mm -58.79 -55.71 21.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.282 174.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -56.43 -45.21 80.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.316 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.678 ' O ' HG12 ' B' ' 637' ' ' ILE . 14.6 p -64.76 -42.75 95.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.661 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 44.8 mt -70.72 -36.1 73.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' B' ' 697' ' ' LEU . 52.7 mt-10 -59.45 -41.61 90.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -62.79 -43.61 98.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.774 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.678 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.5 mm -61.11 -54.97 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.031 -179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' B' ' 694' ' ' PRO . 8.6 tt0 -60.65 -36.18 78.06 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.715 0.293 . . . . 0.0 110.618 -178.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -61.6 -47.13 86.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.436 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 97.9 mttt -68.6 -28.63 67.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.992 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 95.6 mt -73.28 -70.08 0.39 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.676 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 53.0 m 55.03 32.84 19.0 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -175.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 69.34 96.85 0.06 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.885 -177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.791 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 97.1 mt -112.4 162.41 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.223 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.47 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 36.0 t -76.06 163.74 26.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.11 -34.31 63.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 111.671 -177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -67.14 -40.11 86.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.213 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.791 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 36.7 mt-10 -75.1 -32.2 61.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.19 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' B' ' 645' ' ' SER . 76.2 mt-30 -65.95 -31.54 72.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.399 176.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -68.93 -25.77 64.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.657 176.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -78.1 -56.25 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.101 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -110.29 102.86 11.49 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 40.2 ttp180 -135.36 165.99 24.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.969 -176.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.493 HD23 ' O ' ' B' ' 685' ' ' LEU . 2.9 mm? -79.81 97.34 6.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.065 0.459 . . . . 0.0 109.972 177.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -132.03 -80.39 0.51 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.96 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -99.77 6.03 45.51 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.216 0.531 . . . . 0.0 109.851 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 p -84.37 -32.39 24.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.541 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.4 tt -101.65 -28.34 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -91.8 -177.0 42.6 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.724 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 110.01 -128.15 8.74 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.637 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 17.0 p -73.88 -44.63 54.72 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -175.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 29.1 p -94.03 20.96 7.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.25 0.547 . . . . 0.0 110.809 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.0 -47.67 85.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.255 -176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.5 p -54.87 -45.71 75.3 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.344 -175.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 31.7 pt -71.5 -34.67 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 O-C-N 122.23 -0.294 . . . . 0.0 111.544 -176.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -70.05 -43.24 71.62 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' B' ' 667' ' ' ARG . 8.7 tpt180 -61.12 -49.06 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.225 177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -60.39 -38.36 83.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.486 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.582 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -65.94 -45.86 80.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.919 0.39 . . . . 0.0 110.735 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.9 -32.07 71.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -72.03 -28.05 63.11 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 120.559 0.219 . . . . 0.0 111.31 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.482 ' O ' HD23 ' A' ' 210' ' ' LEU . 10.0 ttm180 -73.49 -29.98 62.84 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.561 -179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 33.2 pt -99.62 -39.28 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.929 0.395 . . . . 0.0 111.491 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -114.29 39.31 2.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.307 -177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.1 -38.51 3.68 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -76.32 -43.05 42.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.508 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.455 ' O ' HG12 ' B' ' 681' ' ' ILE . 70.7 mmtt -120.64 33.97 5.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -173.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.536 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -59.27 -46.12 89.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.203 -178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.15 79.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -69.73 -39.97 76.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.198 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.455 HG12 ' O ' ' B' ' 677' ' ' LYS . 47.5 mm -71.04 -40.64 76.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.476 177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.536 HG12 ' O ' ' B' ' 678' ' ' ALA . 33.4 mm -57.46 -46.59 85.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-O 121.05 0.453 . . . . 0.0 109.964 175.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -62.6 -41.99 99.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.37 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -60.2 -43.51 98.36 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.501 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.493 ' O ' HD23 ' B' ' 654' ' ' LEU . 87.8 mt -57.81 -44.06 86.12 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.237 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' B' ' 682' ' ' ILE . 59.1 mtm180 -73.9 -25.25 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.046 0.451 . . . . 0.0 110.552 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.458 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 36.9 ttmt -80.61 -50.16 10.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.218 -175.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.423 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 40.1 t-20 -149.14 97.51 3.6 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 121.258 0.552 . . . . 0.0 110.228 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 37.2 Cg_endo -65.91 -25.11 52.69 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.903 2.402 . . . . 0.0 112.42 -179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 23.1 t -75.83 -9.56 58.7 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.435 -177.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.565 HG12 HD23 ' A' ' 226' ' ' LEU . 43.8 mt -106.62 -65.61 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.87 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.58 95.67 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -171.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.659 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 79.3 t -55.83 -53.93 57.55 Favored Pre-proline 0 CA--C 1.539 0.542 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.659 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -54.89 -41.94 73.66 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 122.175 1.917 . . . . 0.0 112.909 176.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.558 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.6 mt -73.53 -49.35 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.993 0.425 . . . . 0.0 110.911 -176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.462 HG11 HD21 ' B' ' 685' ' ' LEU . 2.9 p -64.27 -33.77 64.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.229 0.537 . . . . 0.0 110.289 -177.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' B' ' 635' ' ' GLU . 1.9 tt -68.32 -40.25 81.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.246 174.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -57.83 -42.75 84.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.929 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 34.1 mmt180 -63.39 -46.58 85.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.334 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' B' ' 631' ' ' ILE . 20.8 mt -69.81 -32.85 71.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.797 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.416 ' HE2' ' OE1' ' B' ' 704' ' ' GLU . 3.1 tptm -73.06 -35.85 66.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.092 0.472 . . . . 0.0 109.83 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 54.2 ttp -63.21 -39.28 94.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.521 173.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -71.76 -31.5 66.7 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.714 178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.416 ' OE1' ' HE2' ' B' ' 701' ' ' LYS . 35.1 tt0 -57.37 -49.0 77.57 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 173.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -53.77 -49.48 68.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.52 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.66 -50.23 74.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.077 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -65.59 -33.85 76.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.741 -177.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -64.97 -40.37 94.89 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.419 176.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' B' ' 712' ' ' ARG . 51.2 mm-40 -65.51 -36.53 84.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.855 0.359 . . . . 0.0 110.735 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -70.45 -44.26 68.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 0.0 110.31 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -63.07 -37.25 86.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.905 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.597 ' HA ' ' CG ' ' B' ' 716' ' ' LYS . 10.0 ptm180 -74.1 -17.23 60.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.729 0.299 . . . . 0.0 110.703 -178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -87.22 -50.38 3.66 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.697 177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -90.19 -64.16 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -68.85 -56.53 7.65 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -167.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.597 ' CG ' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER -71.22 -29.93 65.74 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.116 -173.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.15 -44.04 88.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -52.13 -42.86 63.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 0.0 109.954 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 14.5 tpp180 -65.12 -58.99 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.658 178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.11 -21.65 64.03 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.451 -174.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -82.11 -31.95 30.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.258 0.552 . . . . 0.0 109.68 176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -67.4 -39.38 85.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.747 174.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 42.1 mm-40 -50.64 -66.83 0.32 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.462 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -148.01 159.89 43.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.126 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -150.58 -0.0 0.42 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.461 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.79 111.1 23.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.012 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.3 mt 61.74 179.21 0.12 Allowed 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.799 0.687 . . . . 0.0 111.02 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -76.12 -38.66 56.6 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 175.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.855 178.635 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.597 0.237 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -113.48 32.57 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.196 0.522 . . . . 0.0 110.707 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -88.44 15.14 8.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.4 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . 68.21 100.83 0.05 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.611 0.719 . . . . 0.0 111.417 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -82.65 105.02 13.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.763 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 80.1 mt -96.18 99.49 11.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . 0.584 ' HB2' ' OE2' ' B' ' 706' ' ' GLU . 85.5 m-20 -108.96 90.69 3.37 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.435 ' O ' ' HA ' ' B' ' 673' ' ' ILE . 24.8 m-85 -68.99 -40.05 78.98 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.149 177.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 48.0 mt -90.46 158.04 17.26 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.072 -177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.729 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 77.7 mt -100.04 155.38 17.74 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 25.1 p -69.36 137.68 53.06 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -63.3 -23.04 67.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.173 -175.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -61.94 -54.07 46.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.594 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -61.13 -43.8 98.32 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.333 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.646 ' O ' ' HB2' ' A' ' 220' ' ' LEU . 72.4 mt -57.35 -46.9 85.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.343 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.594 178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 44.4 ttm -68.56 -31.28 70.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.682 0.277 . . . . 0.0 110.639 -179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -57.53 -55.56 33.29 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.613 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 1.6 p30 -77.44 -29.38 52.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.962 -179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.646 ' HB2' ' O ' ' A' ' 216' ' ' ILE . 0.5 OUTLIER -53.86 -45.32 70.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.039 0.447 . . . . 0.0 110.2 175.042 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 217' ' ' MET . 92.9 mtt180 -70.11 -43.89 70.1 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.348 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 226' ' ' LEU . 93.3 m -59.6 -32.85 70.78 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 83.3 mt -63.87 -16.59 61.74 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-O 121.143 0.497 . . . . 0.0 111.211 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -110.44 -43.09 3.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.688 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -90.27 16.82 7.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.465 -174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 222' ' ' THR . 1.2 tm? -74.55 98.73 3.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 174.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -75.86 127.55 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.2 0.524 . . . . 0.0 111.167 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.027 179.598 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.787 0.327 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -139.33 157.54 45.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.217 0.532 . . . . 0.0 111.454 -175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -115.53 2.41 13.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.721 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -87.06 -13.13 45.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.322 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 63.12 88.68 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.17 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 74.6 mt -68.52 111.66 2.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -74.38 81.54 1.9 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.702 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -100.31 102.13 13.3 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.36 1.076 . . . . 0.0 110.539 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 41.4 t -95.57 -29.13 14.51 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 62.06 20.31 11.51 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.462 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -136.91 9.84 3.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.627 -1.17 . . . . 0.0 109.528 175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -69.48 -48.28 61.2 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' B' ' 715' ' ' ASN . 28.3 ttp-105 -56.13 -38.69 71.15 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.265 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.73 -48.15 83.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -65.65 -30.9 71.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.314 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.523 ' HA ' HG12 ' B' ' 623' ' ' VAL . 2.5 mm? -66.7 -40.44 88.47 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.717 0.294 . . . . 0.0 110.766 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.38 -43.46 90.67 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 95.2 t -61.77 -53.44 48.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.474 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' B' ' 620' ' ' LEU . 13.4 p -63.94 -39.52 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.913 -0.13 . . . . 0.0 111.34 -176.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 624' ' ' LEU . 1.9 mm? -63.94 -43.22 96.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.739 0.304 . . . . 0.0 110.849 178.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -71.33 -38.19 71.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.079 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.579 HG22 ' HB2' ' B' ' 669' ' ' ALA . 89.4 m -62.34 -45.18 94.36 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.277 0.56 . . . . 0.0 110.07 174.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -60.16 -44.3 95.13 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.202 175.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.481 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.87 -47.19 85.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.806 -177.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.52 94.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.15 0.5 . . . . 0.0 110.916 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.442 ' OG1' ' HA ' ' B' ' 666' ' ' HIS . 32.1 m -68.7 -36.62 78.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.802 177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.479 ' CD1' ' HG ' ' B' ' 700' ' ' LEU . 1.0 OUTLIER -57.6 -47.56 85.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.559 174.498 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 15.7 mmm180 -67.27 -45.09 77.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.391 -175.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.546 ' O ' HG12 ' B' ' 637' ' ' ILE . 11.2 p -64.13 -41.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.053 -177.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.42 ' CB ' HD13 ' B' ' 697' ' ' LEU . 40.3 mt -69.08 -41.14 77.92 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 121.214 -0.194 . . . . 0.0 111.479 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.417 ' OE2' HG23 ' B' ' 631' ' ' ILE . 43.3 mt-10 -63.91 -36.44 83.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.388 . . . . 0.0 110.269 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' B' ' 640' ' ' LYS . . . -64.25 -51.76 62.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.316 178.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.546 HG12 ' O ' ' B' ' 633' ' ' VAL . 47.9 mm -58.2 -44.55 88.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.226 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -55.61 -42.47 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -73.71 -35.14 65.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.577 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' B' ' 636' ' ' ALA . 28.4 mtpp -70.88 -29.07 65.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.971 0.415 . . . . 0.0 110.373 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 81.2 mt -71.28 -64.53 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.34 174.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 74.9 m 49.12 38.31 12.73 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.633 -175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 67.72 82.78 0.17 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.956 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 81.1 mt -87.5 155.27 20.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.103 176.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 32.8 t -73.0 167.54 20.88 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.85 98.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.893 0.378 . . . . 0.0 111.034 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -65.83 -27.86 68.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.241 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.7 mt-10 -76.56 -34.65 58.49 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.465 ' OE1' ' HG2' ' B' ' 689' ' ' PRO . 45.3 mt-30 -73.47 -21.54 60.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.599 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -74.32 -23.99 59.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.383 0.611 . . . . 0.0 109.8 173.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 33.8 ttpt -88.33 -60.45 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.853 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -103.52 112.13 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.248 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.473 ' HG2' ' H ' ' B' ' 654' ' ' LEU . 18.2 ttp180 -131.83 171.29 13.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.36 178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.473 ' H ' ' HG2' ' B' ' 653' ' ' ARG . 8.6 mp -78.74 63.42 3.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 0.0 111.003 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -109.32 127.52 54.38 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.014 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 69.77 7.13 6.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.034 0.534 . . . . 0.0 111.709 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 4.1 p -97.6 -38.68 9.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.852 0.358 . . . . 0.0 111.295 -178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' B' ' 663' ' ' GLU . 7.9 mp -103.37 -1.97 27.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 110.228 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -108.89 171.66 15.69 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.795 -0.638 . . . . 0.0 112.0 -179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.31 -125.09 8.16 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.332 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 17.3 m -87.28 -43.95 11.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.023 0.44 . . . . 0.0 110.344 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 48.8 m -76.21 1.92 14.55 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.561 178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.442 ' HA ' ' O ' ' B' ' 658' ' ' LEU . 41.7 tt0 -59.37 -52.37 65.92 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.543 178.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 8.4 p -54.21 -33.86 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 0.0 111.158 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.422 HG23 HG23 ' B' ' 626' ' ' THR . 53.3 mt -67.08 -57.45 9.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . 0.442 ' HA ' ' OG1' ' B' ' 630' ' ' THR . 21.3 m-70 -69.99 -36.9 75.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.41 -175.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -61.0 -52.47 64.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.274 178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.95 -44.56 94.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.319 -177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.579 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -61.04 -44.94 96.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.248 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.838 HD23 HG12 ' B' ' 682' ' ' ILE . 14.0 tp -76.71 -36.88 56.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.797 -176.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.452 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 86.5 mt-30 -66.5 -24.22 66.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.058 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.573 ' NE ' ' HA ' ' B' ' 672' ' ' ARG . 3.2 tpm_? -64.91 -51.66 60.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.699 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.729 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.0 pt -79.77 -39.44 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.577 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.66 ' CD1' HG13 ' B' ' 681' ' ' ILE . 30.7 m-85 -99.29 31.22 3.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.224 -177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.94 -36.56 3.43 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -80.83 -15.52 56.16 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -152.55 35.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.418 0.628 . . . . 0.0 110.585 -175.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.452 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -62.28 -43.73 98.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.903 -173.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.4 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.755 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -80.05 -27.67 39.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.993 0.425 . . . . 0.0 110.676 -175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.66 HG13 ' CD1' ' B' ' 674' ' ' TYR . 47.5 mm -80.11 -45.67 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.199 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.838 HG12 HD23 ' B' ' 670' ' ' LEU . 82.9 mt -63.96 -37.04 78.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.34 0.591 . . . . 0.0 109.904 179.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -71.55 -25.23 62.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.652 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -57.58 -44.77 93.75 Favored Glycine 0 C--N 1.332 0.357 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.253 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.436 ' HB3' HD22 ' B' ' 654' ' ' LEU . 71.5 mt -62.89 -34.11 76.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.887 0.375 . . . . 0.0 111.369 -178.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.469 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 21.5 mtm180 -84.81 -28.54 26.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.29 0.566 . . . . 0.0 110.026 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -70.44 -62.69 1.29 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.843 -177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.405 ' HB3' ' CG1' ' B' ' 691' ' ' ILE . 85.4 m-20 -130.41 90.73 40.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.731 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.465 ' HG2' ' OE1' ' B' ' 649' ' ' GLN . 18.8 Cg_endo -60.95 -46.34 16.47 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.196 1.931 . . . . 0.0 112.581 -177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 8.6 t -70.55 -3.93 20.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.795 0.331 . . . . 0.0 111.194 -178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.405 ' CG1' ' HB3' ' B' ' 688' ' ' ASN . 44.8 mm -108.14 -59.36 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.85 -39.15 61.75 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.623 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 48.3 t -52.19 -54.43 41.55 Favored Pre-proline 0 CA--C 1.534 0.363 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.72 -176.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.623 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 32.1 Cg_exo -59.43 -44.54 32.07 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 121.814 1.676 . . . . 0.0 112.808 177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.69 -54.26 20.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.61 -175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 85.9 t -64.84 -38.88 83.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.363 -175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' B' ' 634' ' ' LEU . 63.7 tp -65.87 -36.52 83.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.458 177.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 28.9 ttpp -62.13 -42.84 99.64 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 120.862 0.363 . . . . 0.0 110.633 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.634 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 22.2 mmt180 -63.48 -39.26 93.98 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.394 0.616 . . . . 0.0 110.527 176.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 16.9 tp -72.66 -29.62 63.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.675 -175.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 62.5 mmtt -73.4 -33.7 65.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.064 175.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 55.0 ttp -61.52 -43.72 98.35 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 121.163 0.506 . . . . 0.0 109.712 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' B' ' 703' ' ' LYS . 25.7 mmtp -78.24 -27.27 47.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.025 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -55.2 -47.96 74.53 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 171.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.12 -48.26 80.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.814 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . 0.584 ' OE2' ' HB2' ' A' ' 208' ' ' ASN . 30.6 tt0 -60.15 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 -178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.402 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 5.9 m0 -67.93 -28.42 67.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.39 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -46.13 86.42 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -66.92 -33.73 76.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.689 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.47 -50.26 68.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.009 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.469 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 36.6 tt0 -65.59 -30.17 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.012 0.434 . . . . 0.0 110.237 178.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.467 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 78.9 ttt180 -61.41 -33.92 74.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.374 176.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.41 -46.07 10.44 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.934 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -88.56 -65.42 1.02 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.913 0.387 . . . . 0.0 111.915 -176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.588 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 49.7 t30 -68.91 -47.73 65.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.485 -171.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.565 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 50.0 tttm -62.41 -56.29 19.64 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.672 -176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 93.2 t -58.17 -39.75 74.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.443 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -58.07 -47.45 83.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.456 176.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 48.7 mtt180 -66.55 -40.78 89.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.473 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 18.2 mm-40 -55.42 -42.59 74.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.694 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -75.67 -31.13 59.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -72.98 -40.63 65.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.031 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 7.6 mm-40 -76.46 -65.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.027 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 64.0 mttm 55.34 -171.42 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.633 -175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -145.83 145.35 30.74 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.482 178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -112.9 161.97 16.36 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 78.0 mt -110.88 143.11 41.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.941 0.4 . . . . 0.0 111.083 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -107.69 -56.54 2.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 175.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 54.5 m . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.094 175.2 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.475 0.819 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -63.29 -63.99 1.03 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.284 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -171.62 -175.47 1.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.237 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -73.53 99.04 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.916 0.388 . . . . 0.0 110.277 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -77.8 118.93 20.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.287 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 82.1 mt -88.33 80.21 7.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.368 0.604 . . . . 0.0 110.614 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -93.55 110.64 22.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.729 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -92.52 -49.39 6.14 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.911 0.386 . . . . 0.0 110.536 -176.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -83.59 169.81 14.99 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.551 -176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 95.5 mt -100.39 176.62 5.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.065 171.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -81.33 145.27 30.95 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.7 -35.75 63.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.38 0.609 . . . . 0.0 109.843 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -54.79 -55.23 32.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.148 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -70.14 -34.5 73.13 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.83 -177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.41 HG12 ' HD1' ' B' ' 674' ' ' TYR . 78.4 mt -62.49 -50.75 78.6 Favored 'Isoleucine or valine' 0 C--O 1.237 0.422 0 CA-C-O 121.334 0.588 . . . . 0.0 110.359 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.424 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 45.1 ttm -67.38 -33.62 75.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.414 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -57.75 -45.43 85.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.222 174.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -56.82 -53.06 62.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.83 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.543 HD22 ' HD3' ' B' ' 677' ' ' LYS . 49.3 tp -55.85 -41.52 74.44 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.382 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' A' ' 225' ' ' LYS . 99.3 mtt180 -69.61 -38.57 77.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.049 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.59 ' HA ' ' HD2' ' A' ' 225' ' ' LYS . 90.4 m -62.97 -32.52 73.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.733 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.51 -35.04 73.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.741 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -87.73 -15.66 36.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.509 -177.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . 0.59 ' HD2' ' HA ' ' A' ' 222' ' ' THR . 90.8 mttt -66.08 -40.51 90.91 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.863 0.363 . . . . 0.0 110.752 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.7 6.55 44.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.94 129.16 34.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.895 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.38 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.678 0.275 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -100.66 83.29 2.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.179 0.514 . . . . 0.0 110.465 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -146.29 32.07 1.0 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.655 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.63 -43.5 8.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.463 -178.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -131.13 16.01 5.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.453 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.5 mp -94.23 102.04 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 171.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.02 87.29 3.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.827 -175.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -122.46 -31.83 3.71 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.655 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 13.6 m -81.26 57.41 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.985 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.58 120.39 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.141 -175.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 58.58 21.4 8.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.227 177.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 4.6 tp10 -75.34 -45.0 42.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -71.85 -33.67 68.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.155 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 622' ' ' VAL . 9.2 m-85 -61.7 -43.24 99.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.49 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -57.72 -44.06 85.68 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.561 ' HB3' ' OE1' ' B' ' 711' ' ' GLN . 93.0 mt -65.55 -44.68 86.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.705 -177.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.26 -41.07 87.95 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.748 0.309 . . . . 0.0 110.776 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 618' ' ' PHE . 94.0 t -68.87 -51.33 45.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.515 HG12 ' HA ' ' B' ' 620' ' ' LEU . 7.2 p -61.1 -40.98 87.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.159 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.64 ' HG ' ' HG2' ' B' ' 711' ' ' GLN . 0.8 OUTLIER -61.38 -51.41 68.9 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.759 0.314 . . . . 0.0 111.2 179.105 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.22 -42.93 92.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.237 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.548 HG22 ' HB2' ' B' ' 669' ' ' ALA . 20.8 m -64.18 -38.29 90.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.2 0.524 . . . . 0.0 110.195 179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.514 ' O ' HG12 ' B' ' 631' ' ' ILE . 2.9 t-20 -61.75 -54.31 44.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.46 176.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.52 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 5.0 tt -61.79 -38.25 87.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.763 -177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.4 85.9 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.613 0.721 . . . . 0.0 110.339 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.563 HG22 HD23 ' B' ' 634' ' ' LEU . 24.1 m -66.85 -33.7 76.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.368 178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.514 HG12 ' O ' ' B' ' 627' ' ' ASN . 43.2 mm -56.55 -48.57 80.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 110.259 174.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 71.7 mtp180 -57.21 -53.62 56.0 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.927 -179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.554 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.0 p -69.45 -33.77 58.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.258 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.66 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 0.6 OUTLIER -61.64 -50.34 72.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.621 0.248 . . . . 0.0 111.065 178.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.535 ' HA ' HD11 ' B' ' 697' ' ' LEU . 29.7 mt-10 -64.35 -34.37 78.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.722 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -60.67 -48.37 82.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.719 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.554 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.6 mm -63.49 -45.09 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.703 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -59.19 -39.35 82.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.802 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' B' ' 639' ' ' LYS . 39.4 ttmt -68.72 -38.65 80.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.673 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.78 -31.15 70.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.582 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' B' ' 689' ' ' PRO . 79.0 mt -72.67 -70.28 0.36 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.244 178.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 33.7 m 60.46 23.48 13.1 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.321 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 67.2 94.61 0.07 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 111.073 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.772 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 87.8 mt -108.66 167.16 10.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.224 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 68.4 p -78.18 167.47 21.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.008 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.57 65.24 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.67 -37.23 86.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.049 0.452 . . . . 0.0 110.796 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.772 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 35.3 mt-10 -79.29 -28.3 42.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 -179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.89 -31.01 71.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.937 174.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.17 -21.23 58.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.289 174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 13.1 ttmm -77.79 -58.91 3.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.995 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -103.84 109.52 21.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.435 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 60.5 ttp180 -135.21 151.51 50.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.457 -179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.615 ' CD1' ' HB3' ' B' ' 689' ' ' PRO . 6.1 mp -73.96 112.99 10.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.59 0.233 . . . . 0.0 110.873 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' B' ' 656' ' ' ASN . 17.6 t70 -166.73 103.37 0.58 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 171.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 655' ' ' ASP . 47.2 m-80 69.99 -0.32 2.79 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.819 0.699 . . . . 0.0 110.417 -171.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.45 -20.15 59.01 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.053 179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.679 ' HB2' ' HG3' ' B' ' 663' ' ' GLU . 73.9 mt -93.87 14.15 20.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.653 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . 109.32 132.92 6.61 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.446 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -60.1 -43.37 98.37 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.32 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 10.8 t -124.95 -0.33 7.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.144 0.497 . . . . 0.0 110.205 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 19.1 m -97.38 6.0 48.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.973 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.679 ' HG3' ' HB2' ' B' ' 658' ' ' LEU . 33.4 tt0 -73.98 -29.86 62.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.1 p -54.66 -47.1 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.769 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.451 ' HB ' HG23 ' B' ' 626' ' ' THR . 35.1 pt -68.63 -36.08 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.339 0 CA-C-O 120.773 0.321 . . . . 0.0 110.984 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -73.51 -44.8 56.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.043 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 16.5 ttm180 -61.05 -48.11 83.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.927 176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -60.24 -43.07 96.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.411 -178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.548 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.94 -44.04 97.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.196 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.407 ' O ' HG12 ' B' ' 673' ' ' ILE . 32.8 tp -69.88 -36.68 75.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 26.1 mt-30 -69.7 -24.26 63.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.714 0.292 . . . . 0.0 110.863 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -72.45 -12.54 61.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.644 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.427 HG21 ' HG3' ' B' ' 703' ' ' LYS . 39.9 pt -107.43 -23.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 120.534 -0.466 . . . . 0.0 111.082 175.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.41 ' HD1' HG12 ' A' ' 216' ' ' ILE . 22.7 m-85 -115.02 25.81 10.62 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.47 -178.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' B' ' 678' ' ' ALA . . . -39.48 -46.21 1.66 Allowed 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -173.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . 0.522 ' OD1' ' HG2' ' B' ' 677' ' ' LYS . 13.8 t70 -52.15 -47.95 65.16 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.543 ' HD3' HD22 ' A' ' 220' ' ' LEU . 0.0 OUTLIER -118.98 34.08 5.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.111 -178.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' B' ' 675' ' ' ALA . . . -57.97 -51.87 67.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.76 -173.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.93 69.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.117 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -73.8 -45.94 48.43 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.117 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.436 HG12 ' O ' ' B' ' 677' ' ' LYS . 43.6 mm -65.02 -41.92 93.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 0.0 110.41 -179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 37.5 mm -60.81 -43.38 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.535 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -67.54 -36.54 81.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.605 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.24 -46.0 94.5 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.256 -0.497 . . . . 0.0 111.903 175.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.498 HD21 HG21 ' B' ' 696' ' ' VAL . 58.6 mt -59.78 -34.67 73.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.368 0.604 . . . . 0.0 110.433 175.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.435 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 2.1 tpt180 -76.29 -12.71 60.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.837 -176.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -108.15 -53.3 2.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.466 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 43.1 t-20 -136.65 91.55 15.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 121.204 0.526 . . . . 0.0 110.601 -178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.615 ' HB3' ' CD1' ' B' ' 654' ' ' LEU . 50.7 Cg_endo -70.45 -26.84 23.91 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.58 2.187 . . . . 0.0 112.35 178.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -29.2 70.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.504 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.447 ' O ' HG13 ' B' ' 695' ' ' ILE . 67.5 mt -94.6 -54.27 7.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.904 176.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.535 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -64.72 -52.03 59.25 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -169.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.463 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 88.9 t -55.79 -49.86 90.42 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -169.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.2 Cg_endo -56.49 -38.97 94.34 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 121.444 1.429 . . . . 0.0 112.479 177.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.447 HG13 ' O ' ' B' ' 691' ' ' ILE . 13.4 mt -70.33 -53.13 24.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-O 121.119 0.485 . . . . 0.0 110.602 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.535 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.6 m -61.34 -35.2 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.252 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.66 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 2.0 tt -63.42 -43.02 98.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.982 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 61.3 mttp -56.09 -49.77 72.89 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.291 178.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -68.2 -30.87 70.05 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.052 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.491 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.6 tp -72.74 -36.45 67.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.243 0.544 . . . . 0.0 109.787 -178.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.424 ' HD2' HD12 ' B' ' 631' ' ' ILE . 9.0 tptm -69.82 -36.03 75.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.972 177.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 58.2 ttp -64.0 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.963 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 46.2 mmtt -69.04 -38.8 79.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.463 177.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.43 -46.25 83.76 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 177.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -60.12 -46.32 90.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.123 176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -66.72 -50.54 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.729 -175.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.516 ' O ' ' HB2' ' B' ' 711' ' ' GLN . 5.4 m0 -62.29 -32.68 73.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.727 177.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.465 ' HD3' ' HA ' ' B' ' 708' ' ' ARG . 7.2 mmt180 -66.53 -43.24 85.73 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.29 -29.61 65.27 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.444 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -73.53 -43.42 60.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.22 0.534 . . . . 0.0 110.21 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.64 ' HG2' ' HG ' ' B' ' 624' ' ' LEU . 8.8 tp60 -62.56 -30.52 71.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.137 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.53 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.9 ttp180 -62.93 -31.58 72.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.497 176.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -81.19 -41.27 10.39 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.483 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -89.02 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.825 0.345 . . . . 0.0 111.869 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.5 ' HB2' ' NE2' ' B' ' 711' ' ' GLN . 27.4 t-20 -69.32 -49.59 54.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.847 -171.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.53 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 22.8 ttpt -59.37 -50.22 74.79 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.564 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . . . . . . . . . 41.5 t -57.72 -43.59 84.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-O 120.613 0.244 . . . . 0.0 111.019 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . 0.424 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 85.9 t90 -58.27 -42.15 85.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.409 177.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.592 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 72.6 ttt180 -72.85 -36.36 67.43 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.694 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 6.1 mm-40 -55.19 -42.66 73.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.584 176.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' B' ' 718' ' ' TRP . 4.0 pp0? -88.1 -12.73 43.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.025 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -80.57 -56.76 3.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.716 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 4.5 mm-40 -64.78 -42.76 94.83 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.759 -176.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -108.53 176.78 5.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.099 -174.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -94.8 0.33 54.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.986 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 54.7 t80 60.5 94.12 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 O-C-N 123.946 0.779 . . . . 0.0 111.114 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 93.1 mt 67.06 -174.76 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.956 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -132.37 144.33 50.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.978 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.443 -0.789 . . . . 0.0 109.048 178.212 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.034 0.445 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -127.17 97.8 5.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.874 0.368 . . . . 0.0 110.059 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -108.97 125.48 52.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.931 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -144.09 143.11 30.99 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.531 -177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . 0.433 HE21 ' HB3' ' A' ' 206' ' ' GLN . 0.0 OUTLIER -130.95 118.01 20.04 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.027 0.442 . . . . 0.0 109.909 177.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.55 150.06 35.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.135 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -102.72 9.63 39.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.748 ' HD2' ' HE1' ' B' ' 707' ' ' TRP . 92.5 m-85 74.33 -30.41 0.2 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.139 175.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.443 HD23 ' O ' ' B' ' 672' ' ' ARG . 72.5 mt -73.36 -175.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.121 0.486 . . . . 0.0 111.199 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.444 ' CD1' ' HE3' ' B' ' 703' ' ' LYS . 5.8 mp -113.74 172.73 6.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 168.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 30.7 p -79.85 150.07 30.77 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.54 -44.91 13.08 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.939 0.495 . . . . 0.0 111.335 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -52.53 -37.76 58.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.475 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -78.32 -39.43 39.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.224 -176.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 211' ' ' LEU . 2.2 mp -61.96 -48.58 87.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.081 0.467 . . . . 0.0 109.747 177.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.93 -33.46 75.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 177.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -61.6 -52.45 64.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.294 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -64.45 -38.75 92.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.143 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.98 -43.17 91.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.044 0.45 . . . . 0.0 110.145 173.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 225' ' ' LYS . 69.0 mtp180 -67.2 -30.49 70.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.779 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 59.5 m -68.92 -31.36 70.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.387 0.137 . . . . 0.0 111.112 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.507 HD23 HG22 ' B' ' 691' ' ' ILE . 52.8 mt -62.81 -32.55 73.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.228 0.537 . . . . 0.0 109.555 173.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.97 -39.82 23.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.805 177.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 221' ' ' ARG . 33.7 mtmm -64.61 -75.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.834 ' HG ' HG12 ' B' ' 691' ' ' ILE . 1.2 tm? 40.03 77.2 0.05 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.314 1.009 . . . . 0.0 111.081 -174.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -140.31 102.46 4.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.117 0.484 . . . . 0.0 110.318 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.507 178.926 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.709 0.29 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -76.26 -86.37 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.213 -176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . 0.518 ' HB3' HD11 ' B' ' 610' ' ' ILE . . . -164.99 176.21 8.81 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -85.85 -47.77 9.38 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -176.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -137.37 96.97 3.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.002 0.43 . . . . 0.0 110.493 -176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . 0.518 HD11 ' HB3' ' B' ' 607' ' ' ALA . 3.6 mp -95.54 115.09 33.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.882 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.39 103.96 14.0 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.255 0.55 . . . . 0.0 111.515 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -117.44 -57.72 2.11 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 166.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 6.5 p -151.48 21.82 0.72 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.201 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -69.46 108.87 3.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.16 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 28.7 t0 57.87 93.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.492 1.12 . . . . 0.0 111.699 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.404 ' OE1' ' HB3' ' B' ' 714' ' ' PHE . 37.1 tt0 -68.23 -38.75 82.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.507 -1.224 . . . . 0.0 109.6 178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.425 ' HD3' HH11 ' B' ' 617' ' ' ARG . 35.3 ttt180 -65.45 -37.18 86.11 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.033 -178.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -50.65 -53.26 32.4 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.385 0.428 . . . . 0.0 110.555 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -65.29 -38.84 91.46 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.636 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -43.55 96.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.946 0.403 . . . . 0.0 111.507 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.11 -39.36 82.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.876 0.369 . . . . 0.0 110.32 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.16 -47.81 80.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.387 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.79 -37.13 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 121.114 -0.234 . . . . 0.0 111.009 -176.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -69.22 -41.45 77.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.752 0.31 . . . . 0.0 110.727 177.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -60.18 -48.58 81.14 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.931 0.396 . . . . 0.0 110.781 176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.619 HG22 ' HB2' ' B' ' 669' ' ' ALA . 19.5 m -61.52 -39.67 91.86 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.13 178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.449 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -56.77 -61.36 2.48 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.93 177.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.37 -34.93 76.13 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -175.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.34 -44.56 92.63 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.396 0.617 . . . . 0.0 110.209 175.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.534 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.7 m -74.55 -31.28 62.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.054 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.464 HD12 ' HD2' ' B' ' 701' ' ' LYS . 29.9 mm -60.17 -51.75 69.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.961 0.41 . . . . 0.0 110.099 173.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -60.86 -45.74 93.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.342 -177.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.654 ' O ' HG12 ' B' ' 637' ' ' ILE . 10.8 p -65.24 -46.11 91.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 120.49 -0.484 . . . . 0.0 111.393 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.497 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 40.9 mt -65.19 -39.46 92.88 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.529 0.204 . . . . 0.0 111.326 -177.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' B' ' 639' ' ' LYS . 19.3 mm-40 -61.47 -42.76 99.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.512 175.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.78 97.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.155 0.502 . . . . 0.0 110.222 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.654 HG12 ' O ' ' B' ' 633' ' ' VAL . 44.6 mm -59.3 -48.42 87.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.949 178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.27 -42.03 85.6 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.803 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . 0.711 ' HG2' ' O ' ' B' ' 635' ' ' GLU . 46.9 mmtm -60.34 -40.54 91.03 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.237 0.541 . . . . 0.0 110.576 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -81.49 -23.94 37.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.593 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 61.4 mt -71.48 -71.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.748 0.309 . . . . 0.0 110.719 177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 21.6 m 57.29 40.06 28.05 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.52 -172.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 72.1 -38.47 0.42 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.503 1.121 . . . . 0.0 112.63 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.647 HD22 ' HB3' ' B' ' 648' ' ' GLU . 75.4 mt 63.04 -177.19 0.15 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.64 0.733 . . . . 0.0 111.937 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' B' ' 648' ' ' GLU . 7.2 m -109.49 177.79 4.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.331 172.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.96 -52.5 63.94 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 120.787 0.327 . . . . 0.0 111.203 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.1 -40.4 81.05 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.281 179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.647 ' HB3' HD22 ' B' ' 644' ' ' LEU . 43.4 mt-10 -73.72 -32.15 63.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.77 -174.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -69.0 -31.53 70.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.013 0.435 . . . . 0.0 110.457 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.17 45.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.232 174.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -64.23 -64.26 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.769 177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -101.58 97.13 7.6 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.766 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -121.13 156.79 31.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.924 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.571 HD21 HG21 ' B' ' 637' ' ' ILE . 88.3 mt -77.6 29.63 0.16 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -170.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -74.44 -77.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.668 0.27 . . . . 0.0 110.324 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -72.74 -29.12 63.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.081 0.467 . . . . 0.0 110.735 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.5 m -73.59 -27.68 61.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.236 -174.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.0 tt -129.13 -66.17 0.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.035 -0.266 . . . . 0.0 110.653 -176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -89.69 52.59 3.67 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.379 -175.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -114.47 -107.04 2.69 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.027 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 30.5 m -90.52 -34.36 15.58 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.217 0.532 . . . . 0.0 110.109 177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 39.9 m -84.98 14.47 4.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.188 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -58.05 -45.76 86.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.307 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -48.44 -46.02 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 O-C-N 123.811 0.695 . . . . 0.0 112.868 -170.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 12.1 pt -70.52 -45.38 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.825 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . 0.409 ' CE1' HG11 ' B' ' 633' ' ' VAL . 35.9 m-70 -72.63 -43.48 63.2 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.268 0.556 . . . . 0.0 110.215 -175.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 69.1 ttt180 -63.12 -40.0 96.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.396 179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -61.49 -46.29 90.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.847 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.619 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.3 -46.35 90.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 89.4 mt -70.11 -28.62 65.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.143 -178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 84.8 mt-30 -75.53 -24.35 56.77 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.031 -0.267 . . . . 0.0 111.418 178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.443 ' O ' HD23 ' A' ' 210' ' ' LEU . 40.2 ttt180 -89.76 14.63 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.067 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.421 ' HB ' ' CD1' ' A' ' 211' ' ' LEU . 11.2 pt -131.09 -41.88 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.582 170.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.488 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 80.1 m-85 -103.36 29.25 5.74 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.847 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.15 -51.75 0.25 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -71.05 -30.39 66.54 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -173.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -136.52 38.64 2.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.914 0.387 . . . . 0.0 111.961 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.415 ' O ' HG12 ' B' ' 682' ' ' ILE . . . -68.05 -31.18 70.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -63.22 -36.98 85.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.827 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.64 -38.24 80.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.759 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.47 -43.99 77.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.568 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 678' ' ' ALA . 47.0 mm -60.72 -41.09 87.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.15 0.5 . . . . 0.0 110.053 177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -61.24 -47.55 85.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.493 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.66 -46.93 93.19 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.707 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.53 HD21 HG11 ' B' ' 696' ' ' VAL . 82.9 mt -56.93 -45.99 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.814 0.34 . . . . 0.0 111.468 178.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -85.59 17.97 3.03 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -175.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -137.97 -41.37 0.53 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.651 0.262 . . . . 0.0 111.307 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -138.26 92.56 12.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 121.137 0.494 . . . . 0.0 110.306 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.44 -35.04 18.89 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.088 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 50.6 m -66.96 -13.29 61.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.98 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.834 HG12 ' HG ' ' A' ' 226' ' ' LEU . 42.0 mt -102.94 -58.31 3.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.027 175.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -72.14 -39.68 68.62 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.628 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 69.2 t -55.69 -54.65 49.22 Favored Pre-proline 0 CA--C 1.535 0.38 0 CA-C-O 119.221 -0.419 . . . . 0.0 112.079 -176.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.621 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 73.3 Cg_exo -52.5 -46.15 35.11 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.203 1.935 . . . . 0.0 112.768 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.72 -55.02 19.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.194 0.521 . . . . 0.0 110.494 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.53 HG11 HD21 ' B' ' 685' ' ' LEU . 2.4 p -64.59 -34.17 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.742 -174.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.628 ' HB2' ' O ' ' B' ' 693' ' ' VAL . 0.5 OUTLIER -70.2 -40.4 74.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.89 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -67.06 -40.03 87.0 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.429 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.488 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 34.1 mmt180 -64.12 -40.1 95.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.037 0.446 . . . . 0.0 110.218 175.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.461 ' HG ' HD11 ' B' ' 631' ' ' ILE . 34.0 tp -69.48 -34.96 75.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.622 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.532 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 4.4 mptp? -69.43 -36.81 77.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.166 0.507 . . . . 0.0 110.334 175.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.77 -46.88 83.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.069 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.444 ' HE3' ' CD1' ' A' ' 211' ' ' LEU . 2.6 mptp? -70.38 -25.73 63.38 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.459 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.532 ' HB3' ' O ' ' B' ' 701' ' ' LYS . 27.1 tt0 -57.61 -48.53 79.15 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' B' ' 701' ' ' LYS . 31.7 mt-10 -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.216 176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.14 -51.84 67.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.385 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.748 ' HE1' ' HD2' ' A' ' 209' ' ' TYR . 9.9 m0 -63.14 -36.71 84.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.06 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' B' ' 712' ' ' ARG . 14.3 mmt180 -62.95 -41.84 99.64 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.033 -0.267 . . . . 0.0 111.052 175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -71.41 -36.82 71.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 110.947 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.51 -50.2 70.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.048 0.451 . . . . 0.0 110.106 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.521 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 43.1 tt0 -64.7 -28.72 69.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.82 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.62 ' HB2' ' O ' ' B' ' 708' ' ' ARG . 18.0 ttt180 -66.32 -47.77 72.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.331 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -73.4 -38.65 52.53 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.894 -0.594 . . . . 0.0 113.101 -178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . 0.421 ' O ' ' HB2' ' B' ' 718' ' ' TRP . 31.1 m-85 -88.13 -64.96 1.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.798 -177.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.521 ' HB3' ' HG2' ' B' ' 711' ' ' GLN . 34.9 t30 -74.7 -52.38 11.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.879 -171.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 9.5 tmtt? -61.09 -45.94 92.68 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -176.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 712' ' ' ARG . 89.4 t -68.7 -34.64 65.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.2 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . 0.421 ' HB2' ' O ' ' B' ' 714' ' ' PHE . 73.2 t90 -56.93 -47.81 79.74 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 28.2 mtp-105 -64.56 -39.87 94.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.985 178.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 64.8 mm-40 -51.89 -42.21 62.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.015 176.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 22.7 mm-40 -81.43 -38.05 27.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.294 -177.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -80.64 -31.89 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -79.37 -3.24 45.36 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' B' ' 720' ' ' GLU . 16.7 ptpt -128.81 156.39 43.67 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -129.72 -174.92 3.44 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.495 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -89.48 17.06 6.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.866 -167.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 97.3 mt 63.89 94.28 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.142 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -146.77 144.62 29.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.192 174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.564 179.059 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -104.06 77.16 1.41 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.041 0.448 . . . . 0.0 110.416 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -100.45 -38.16 8.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.26 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . 0.41 ' HB1' ' CZ ' ' B' ' 714' ' ' PHE . . . -76.7 84.83 3.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.409 178.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -105.05 105.92 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.124 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' B' ' 710' ' ' ALA . 71.4 mt -94.28 87.94 5.4 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.851 174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -102.81 96.37 6.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.183 -177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.27 -40.39 11.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.399 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.563 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 40.4 mt -87.28 -169.12 2.48 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.227 -174.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.727 HD21 ' HD2' ' B' ' 703' ' ' LYS . 96.5 mt -134.58 144.5 47.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 168.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.5 m -61.97 148.4 43.92 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -48.07 -41.15 25.25 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.583 0.353 . . . . 0.0 111.707 -178.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -60.11 -32.98 71.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.265 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.35 -47.15 68.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.762 0.315 . . . . 0.0 110.919 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.873 HG21 ' HB3' ' B' ' 677' ' ' LYS . 4.6 mp -67.2 -39.81 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.347 0.594 . . . . 0.0 109.818 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 32.7 ttm -67.97 -33.69 75.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.256 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -59.73 -44.32 93.8 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 172.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.487 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 0.7 OUTLIER -57.21 -54.54 45.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.28 179.256 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.5 mp -54.51 -41.92 70.2 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.594 178.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -65.01 -33.74 76.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.905 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 15.8 m -72.42 -44.78 61.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.066 177.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 68.6 mt -59.79 -26.96 66.16 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.025 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -87.17 -34.59 18.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.043 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -100.23 -38.57 8.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.001 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.96 86.0 7.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.563 ' HA ' ' CD1' ' B' ' 691' ' ' ILE . 15.5 pttp -114.32 172.6 6.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.529 -176.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.246 0.911 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.428 174.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.909 -0.034 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 51.32 93.35 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.26 0.624 . . . . 0.0 112.083 -178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -75.08 -67.9 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.194 177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -128.77 -52.77 1.24 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.375 0.607 . . . . 0.0 109.625 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -167.2 100.03 0.52 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.825 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 64.4 mt -67.96 99.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.211 0.529 . . . . 0.0 109.859 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -133.03 109.8 9.78 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.133 -177.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . 0.405 ' HD2' HH11 ' B' ' 612' ' ' ARG . 5.8 ptm85 -134.8 101.1 4.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.394 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 53.6 t -147.9 -54.58 0.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.113 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -72.57 -34.45 67.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.216 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -81.09 50.06 1.35 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.126 -178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 34.3 tt0 -81.59 -61.6 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.524 -173.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' B' ' 620' ' ' LEU . 60.6 ttt-85 -63.43 -31.8 73.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.131 -176.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.403 ' O ' HG23 ' B' ' 622' ' ' VAL . 76.6 t80 -57.38 -52.12 66.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.186 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.408 ' O ' HG12 ' B' ' 623' ' ' VAL . 33.6 tt0 -69.04 -30.48 68.85 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.467 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 63.1 mt -60.75 -45.05 95.82 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 120.775 0.321 . . . . 0.0 110.566 177.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -62.88 -45.59 91.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.1 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . 0.403 HG23 ' O ' ' B' ' 618' ' ' PHE . 86.7 t -61.8 -49.94 82.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.751 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.408 HG12 ' O ' ' B' ' 619' ' ' GLU . 15.0 p -66.63 -39.91 84.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 121.312 -0.155 . . . . 0.0 111.362 -175.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.07 -48.68 75.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.293 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -60.01 -47.06 87.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.529 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.546 HG22 ' HB2' ' B' ' 669' ' ' ALA . 50.2 m -61.66 -38.13 86.58 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.352 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.592 ' O ' HG12 ' B' ' 631' ' ' ILE . 7.2 t-20 -61.31 -56.88 15.52 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.72 177.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.581 ' O ' ' HG2' ' B' ' 632' ' ' ARG . 3.5 mm? -55.05 -38.71 68.36 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 123.313 0.383 . . . . 0.0 111.666 -177.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.02 82.87 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.332 0.587 . . . . 0.0 110.659 176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.484 ' HA ' HG12 ' B' ' 633' ' ' VAL . 25.4 m -69.85 -34.98 74.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.095 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.647 HD13 ' HB3' ' B' ' 700' ' ' LEU . 44.2 mm -51.29 -58.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.874 0.368 . . . . 0.0 110.443 170.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' B' ' 628' ' ' LEU . 19.5 mmt180 -59.09 -44.08 91.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.802 -174.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' B' ' 630' ' ' THR . 11.1 p -64.36 -45.67 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.909 -177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.581 HD23 HD12 ' B' ' 637' ' ' ILE . 47.5 mt -73.74 -33.08 64.15 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 -176.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.558 ' HG2' HD21 ' B' ' 697' ' ' LEU . 64.2 mt-10 -64.85 -40.75 95.66 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 109.843 175.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -65.71 -45.33 83.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.657 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.581 HD12 HD23 ' B' ' 634' ' ' LEU . 96.7 mt -59.52 -48.64 86.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.125 179.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -59.17 -41.52 88.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.861 0.363 . . . . 0.0 110.538 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . 0.432 ' HB3' ' HE3' ' B' ' 639' ' ' LYS . 25.3 ttpp -59.23 -45.04 92.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.62 178.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -70.22 -43.74 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.275 179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 93.9 mt -62.87 -65.89 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.327 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 34.0 m 56.43 25.32 9.48 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.172 -174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 643' ' ' ARG . 34.7 mtt85 64.21 79.17 0.26 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.188 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.77 176.99 5.93 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.115 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 27.5 t -62.97 153.99 31.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.74 -176.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.949 0.404 . . . . 0.0 110.951 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.79 -39.56 81.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -75.61 -28.81 59.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.536 ' HB3' ' HD2' ' B' ' 689' ' ' PRO . 77.7 mt-30 -63.98 -34.29 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.681 176.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -82.53 -24.73 33.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.7 176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -74.16 -61.04 1.99 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -96.25 104.34 16.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.642 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 39.3 ttp180 -123.41 154.08 39.52 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.155 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.431 HD11 HG23 ' B' ' 637' ' ' ILE . 1.8 mm? -84.5 31.59 0.52 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -169.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . 0.454 ' OD2' ' HB3' ' B' ' 653' ' ' ARG . 9.9 m-20 -61.93 -55.97 24.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.047 0.451 . . . . 0.0 110.565 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -87.08 -1.97 58.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.731 -178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 1.4 m -93.25 -42.42 9.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.821 -178.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 87.2 mt -97.06 -22.31 16.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.761 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.583 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -127.45 159.56 21.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.344 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 97.72 -34.73 4.97 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.126 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 61.6 m -149.71 124.33 9.76 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 8.5 t 66.04 19.88 11.22 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 109.958 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.583 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 0.0 OUTLIER -65.67 -38.34 89.03 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.204 -178.512 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . 0.403 HG13 HG12 ' B' ' 665' ' ' ILE . 7.2 p -59.69 -36.55 66.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 CA-C-O 121.098 0.475 . . . . 0.0 110.625 177.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.511 HG23 HG23 ' B' ' 626' ' ' THR . 10.7 mm -71.83 -53.01 21.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.521 -177.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -63.9 -36.28 83.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.087 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -71.85 -43.64 65.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.871 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -60.82 -43.93 97.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.625 0.25 . . . . 0.0 110.774 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -64.34 -46.49 83.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.487 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.515 HD22 HD11 ' B' ' 673' ' ' ILE . 0.6 OUTLIER -61.45 -39.48 90.99 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.195 179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' B' ' 675' ' ' ALA . 45.0 mt-30 -72.45 -23.41 61.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.926 179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 38.0 mtt180 -81.34 -29.61 34.08 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 119.98 -0.688 . . . . 0.0 111.518 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.591 HG13 ' CD2' ' B' ' 674' ' ' TYR . 21.2 pt -90.57 -39.49 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.671 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.591 ' CD2' HG13 ' B' ' 673' ' ' ILE . 96.6 m-85 -108.65 31.39 5.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.159 -0.338 . . . . 0.0 110.503 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . 0.542 ' HA ' ' O ' ' B' ' 671' ' ' GLN . . . -32.12 -61.6 0.24 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -169.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.51 -1.91 32.84 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -171.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.873 ' HB3' HG21 ' A' ' 216' ' ' ILE . 49.9 tptt -153.31 29.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 121.601 0.715 . . . . 0.0 110.286 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.07 -37.12 85.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.115 -173.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.37 -29.34 68.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.469 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . 0.449 ' HB2' ' HE3' ' B' ' 677' ' ' LYS . 12.1 t70 -68.71 -46.01 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.458 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.418 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.3 mm -68.23 -41.62 84.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.703 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 41.7 mm -56.61 -39.93 65.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.365 0.602 . . . . 0.0 110.097 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . 0.696 ' OD2' ' HE2' ' B' ' 687' ' ' LYS . 20.3 t70 -71.85 -44.29 64.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.935 178.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -61.49 -39.09 96.84 Favored Glycine 0 C--N 1.333 0.412 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.919 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.474 HD21 HG21 ' B' ' 696' ' ' VAL . 83.9 mt -58.69 -32.97 69.64 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.168 0.508 . . . . 0.0 110.854 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.642 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 83.0 mtp180 -92.41 11.66 25.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.032 -177.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.696 ' HE2' ' OD2' ' B' ' 683' ' ' ASP . 48.0 mttm -117.13 -55.42 2.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.692 0.282 . . . . 0.0 110.491 174.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -129.42 85.73 58.19 Favored Pre-proline 0 C--O 1.236 0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.497 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' B' ' 649' ' ' GLN . 37.2 Cg_endo -66.0 -35.43 34.45 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.578 2.185 . . . . 0.0 112.79 -178.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.0 m -67.94 -15.14 63.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.977 0.417 . . . . 0.0 110.944 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 227' ' ' LYS . 73.8 mt -97.97 -62.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.798 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.491 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -71.24 -44.1 65.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -170.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 72.2 t -55.51 -49.35 93.1 Favored Pre-proline 0 CA--C 1.536 0.439 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -173.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.535 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.0 Cg_exo -57.54 -34.37 97.94 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 121.621 1.547 . . . . 0.0 112.762 175.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.418 ' O ' ' HD3' ' B' ' 699' ' ' ARG . 49.8 mt -74.4 -48.01 37.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 110.57 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 692' ' ' ALA . 15.1 m -65.74 -33.33 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.718 177.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' B' ' 635' ' ' GLU . 3.1 tm? -59.84 -42.87 94.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -60.93 -42.78 98.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.357 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.449 ' HG2' ' OH ' ' B' ' 674' ' ' TYR . 1.6 mpt_? -62.72 -48.57 78.65 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.854 176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.647 ' HB3' HD13 ' B' ' 631' ' ' ILE . 2.9 mm? -59.0 -42.43 90.05 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.007 178.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.439 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.8 OUTLIER -64.11 -49.82 70.72 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 24.0 ptt? -65.79 -35.72 81.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.662 0.268 . . . . 0.0 110.862 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.727 ' HD2' HD21 ' A' ' 211' ' ' LEU . 28.9 mtpp -86.72 -17.62 33.2 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.96 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 25.9 tt0 -59.38 -49.48 77.65 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -67.79 -36.17 79.97 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.898 175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . 0.444 ' CB ' ' HA ' ' B' ' 703' ' ' LYS . 3.7 tp10 -58.06 -53.05 62.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.917 0.389 . . . . 0.0 110.464 177.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -69.69 -31.86 70.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.06 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -60.38 -41.69 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 174.12 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.99 -44.22 85.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.464 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 207' ' ' LEU . . . -62.62 -45.36 93.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 110.189 177.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -62.18 -40.54 96.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.352 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.64 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 13.6 ttp180 -72.89 -26.14 61.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -75.89 -42.65 24.77 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.236 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . 0.41 ' CZ ' ' HB1' ' A' ' 205' ' ' ALA . 88.7 m-85 -89.78 -64.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.933 0.396 . . . . 0.0 112.045 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.404 ' N ' HD22 ' B' ' 715' ' ' ASN . 0.9 OUTLIER -72.52 -41.9 65.36 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -169.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.64 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.6 OUTLIER -63.74 -45.31 90.47 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -178.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.472 ' O ' ' HG2' ' B' ' 721' ' ' GLN . 80.7 t -65.74 -35.71 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -57.21 -45.48 83.77 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.582 ' HG3' ' HG3' ' B' ' 723' ' ' GLU . 31.8 ttt180 -62.86 -38.3 90.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.259 176.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 7.6 mm-40 -64.39 -28.27 69.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 72.6 mm-40 -90.1 -47.52 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -80.23 -54.96 5.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.459 -175.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.582 ' HG3' ' HG3' ' B' ' 719' ' ' ARG . 10.0 mm-40 -75.41 -55.53 5.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.458 -175.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 720' ' ' GLU . 57.1 mtmt 56.7 -163.83 0.16 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.6 -177.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -124.16 114.85 20.2 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 171.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -65.46 109.8 2.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 87.7 mt -67.53 125.73 27.07 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.357 -175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -70.36 -57.13 5.18 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.446 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 47.2 m . . . . . 0 C--O 1.252 1.211 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.295 176.432 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 110.113 -0.329 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 17.0 m120 70.78 -68.62 0.21 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.795 0.684 . . . . 0.0 111.802 175.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -78.26 101.76 7.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.044 0.45 . . . . 0.0 111.101 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -113.32 127.33 56.11 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.933 176.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -82.26 104.07 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . 0.587 HD23 ' HB1' ' B' ' 710' ' ' ALA . 2.4 pp -112.38 177.73 4.54 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.762 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -152.3 175.72 12.36 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.904 -1.043 . . . . 0.0 108.588 170.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -120.09 -41.25 2.65 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.424 HD23 ' O ' ' B' ' 672' ' ' ARG . 67.0 mt -80.41 -173.4 4.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.645 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.447 HD23 HG12 ' A' ' 216' ' ' ILE . 21.4 tp -129.65 150.49 50.95 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 177.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.6 p -80.24 151.63 29.53 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -52.23 -41.62 62.9 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.014 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -49.42 -56.27 10.25 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.822 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -72.24 -41.03 67.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.952 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.447 HG12 HD23 ' A' ' 211' ' ' LEU . 75.0 mt -57.33 -52.65 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 110.977 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.578 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 9.6 tpp -68.98 -32.25 71.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.693 -176.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.19 -52.64 64.71 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.246 0.546 . . . . 0.0 109.885 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.54 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 80.6 m-20 -61.25 -43.6 98.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.02 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 223' ' ' LEU . 4.8 mp -57.27 -44.82 84.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.725 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 217' ' ' MET . 69.3 mtm180 -62.17 -38.62 89.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 110.388 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.636 ' O ' ' HA ' ' A' ' 226' ' ' LEU . 28.1 m -71.59 -19.99 62.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.82 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.562 HD23 HD12 ' B' ' 695' ' ' ILE . 92.6 mt -78.5 -35.01 46.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.171 0.51 . . . . 0.0 110.193 173.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -80.17 -64.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.05 -176.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -101.85 -6.15 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.639 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.636 ' HA ' ' O ' ' A' ' 222' ' ' THR . 1.0 OUTLIER 54.77 73.62 0.4 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.618 0.574 . . . . 0.0 111.487 -178.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.504 ' H ' ' HA ' ' A' ' 222' ' ' THR . 9.3 tmtm? 66.76 123.52 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.847 0.832 . . . . 0.0 112.265 173.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.161 -0.923 . . . . 0.0 108.996 174.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.737 0.303 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -93.91 145.62 24.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.0 0.429 . . . . 0.0 110.475 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -72.67 -17.2 61.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.156 -173.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -102.12 145.49 29.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -78.61 42.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.943 0.401 . . . . 0.0 111.419 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 63.2 mt -79.49 98.26 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.979 0.419 . . . . 0.0 110.019 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -88.54 128.91 35.57 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 177.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' B' ' 612' ' ' ARG . 40.2 mtp85 -87.58 -49.75 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.968 0.413 . . . . 0.0 111.152 -171.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 60.7 m -94.86 80.89 3.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.97 0.414 . . . . 0.0 110.479 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -78.67 88.06 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.318 -176.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 52.56 30.32 8.37 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 123.659 0.599 . . . . 0.0 111.581 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' B' ' 619' ' ' GLU . 45.1 tt0 -70.25 -41.92 72.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.372 0.606 . . . . 0.0 110.117 -175.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' B' ' 715' ' ' ASN . 58.6 ttt-85 -65.23 -39.62 92.97 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.096 176.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.417 ' O ' HG23 ' B' ' 622' ' ' VAL . 81.0 t80 -62.39 -40.81 97.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.731 176.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' B' ' 616' ' ' GLU . 8.5 tp10 -55.03 -41.97 72.05 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.458 175.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.48 ' O ' HD23 ' B' ' 624' ' ' LEU . 80.8 mt -66.01 -41.39 91.07 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 120.878 0.37 . . . . 0.0 110.748 -179.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -64.51 -43.55 93.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.304 0.573 . . . . 0.0 110.253 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 618' ' ' PHE . 69.1 t -63.71 -50.62 77.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.455 -179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.489 ' HB ' HH11 ' B' ' 672' ' ' ARG . 9.9 p -61.87 -38.87 81.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.889 -177.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.574 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 2.1 mm? -60.17 -53.07 62.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.057 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -65.7 -44.31 86.52 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.4 -178.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.52 HG22 ' HB2' ' B' ' 669' ' ' ALA . 22.4 m -60.13 -41.75 93.35 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.308 0.575 . . . . 0.0 110.455 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.626 ' O ' HG12 ' B' ' 631' ' ' ILE . 8.1 t30 -65.43 -47.38 76.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.114 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' B' ' 631' ' ' ILE . 2.1 mm? -58.89 -39.07 80.33 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.7 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.66 92.52 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.298 0.571 . . . . 0.0 110.044 175.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 48.2 m -65.96 -35.85 81.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.008 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.64 ' CD1' ' HB3' ' B' ' 700' ' ' LEU . 42.1 mm -54.72 -60.63 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.031 0.443 . . . . 0.0 110.633 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 632' ' ' ARG . 22.6 mtm180 -58.77 -42.99 90.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.86 -173.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.671 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.1 p -67.18 -43.62 88.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.169 -0.612 . . . . 0.0 110.956 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . . . . . . . . . 22.4 mt -72.12 -29.66 64.29 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 111.776 0.287 . . . . 0.0 111.776 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.501 ' HG2' HD21 ' B' ' 697' ' ' LEU . 81.0 mt-10 -65.61 -38.1 88.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.69 -41.81 87.48 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.069 0.461 . . . . 0.0 110.626 174.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.671 HG12 ' O ' ' B' ' 633' ' ' VAL . 46.9 mm -60.52 -50.62 79.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.867 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -68.15 -27.81 66.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' B' ' 635' ' ' GLU . 79.0 tttt -61.99 -36.16 80.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.704 176.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -79.87 -49.44 11.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.044 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.0 -21.64 63.75 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.633 -175.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 9.8 p -9.93 76.26 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.85 1.66 . . . . 0.0 115.352 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 643' ' ' ARG . 14.5 mtm180 55.33 31.97 17.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.603 173.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.459 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.5 mt -64.51 151.45 44.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.722 0.296 . . . . 0.0 110.733 177.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.469 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 44.5 t -66.46 157.13 32.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.86 -30.9 62.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.039 0.447 . . . . 0.0 110.763 -178.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -61.53 -41.97 98.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.489 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.0 mt-10 -79.92 -21.68 43.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.16 178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.621 ' HB3' ' HG2' ' B' ' 689' ' ' PRO . 75.7 mt-30 -71.65 -27.33 63.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.292 0.568 . . . . 0.0 109.787 175.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -78.22 -25.8 47.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.947 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.77 -59.22 2.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.944 177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -104.92 99.82 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.556 ' HD2' ' OD1' ' B' ' 655' ' ' ASP . 7.7 ttm180 -131.69 165.15 24.37 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.524 HD11 HG21 ' B' ' 637' ' ' ILE . 3.2 mm? -71.44 0.39 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -176.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . 0.556 ' OD1' ' HD2' ' B' ' 653' ' ' ARG . 1.1 m-20 -55.61 -54.73 40.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.914 -179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -99.76 -7.42 25.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 -177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 10.2 m -95.85 -46.31 6.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.534 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 2.1 tt -97.04 73.44 2.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.564 0.697 . . . . 0.0 109.339 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.886 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . 175.08 162.07 25.83 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.053 -179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 92.59 62.53 1.14 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.625 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 26.0 m 78.69 -25.28 0.19 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.058 0.543 . . . . 0.0 111.768 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 3.4 m -93.62 -0.03 56.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 122.198 -0.314 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.886 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 0.0 OUTLIER -85.65 -37.69 19.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 -173.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 6.0 p -52.26 -45.62 43.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 15.4 pt -66.23 -34.71 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -81.91 -36.7 27.82 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.538 -0.465 . . . . 0.0 109.889 -176.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 9.1 tpt180 -61.02 -47.01 88.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.383 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -59.94 -53.35 58.88 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.019 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.52 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.1 -41.97 93.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.481 -178.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.92 -35.21 69.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.912 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.516 ' HG2' ' CB ' ' B' ' 678' ' ' ALA . 27.7 mt-30 -71.36 -23.57 61.93 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.189 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.489 HH11 ' HB ' ' B' ' 623' ' ' VAL . 21.5 ttm180 -63.53 -35.25 79.85 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.17 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 26.7 pt -98.17 -43.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.81 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -98.4 31.41 2.83 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 122.305 -0.247 . . . . 0.0 110.865 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -38.43 -49.44 1.46 Allowed 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 -176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -80.24 -11.07 59.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -172.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.562 ' HD2' ' HB2' ' B' ' 680' ' ' ASP . 17.2 mmtp -142.77 31.12 1.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.196 -0.315 . . . . 0.0 111.697 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.516 ' CB ' ' HG2' ' B' ' 671' ' ' GLN . . . -61.71 -38.28 87.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.563 178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -62.95 -28.25 69.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.143 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . 0.562 ' HB2' ' HD2' ' B' ' 677' ' ' LYS . 7.8 t70 -80.91 -37.53 29.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.289 -178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.428 HG12 ' O ' ' B' ' 677' ' ' LYS . 42.2 mm -69.77 -47.11 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.214 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.56 -39.38 75.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 CA-C-O 121.007 0.432 . . . . 0.0 109.977 177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -61.13 -46.69 89.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.074 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . 0.442 ' HA2' ' HE2' ' B' ' 687' ' ' LYS . . . -62.39 -41.69 99.75 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.74 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 681' ' ' ILE . 95.9 mt -57.47 -39.02 75.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.97 0.414 . . . . 0.0 111.261 178.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -95.91 17.33 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.011 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.442 ' HE2' ' HA2' ' B' ' 684' ' ' GLY . 34.0 ttpt -128.22 -53.49 1.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.419 ' HB3' HD12 ' B' ' 691' ' ' ILE . 19.1 m120 -125.6 79.22 67.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.938 177.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.621 ' HG2' ' HB3' ' B' ' 649' ' ' GLN . 34.0 Cg_exo -57.29 -48.44 17.72 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 123.079 2.519 . . . . 0.0 112.758 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 42.2 m -72.88 1.77 8.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 -178.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.419 HD12 ' HB3' ' B' ' 688' ' ' ASN . 58.3 mt -112.43 -58.1 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.624 0.25 . . . . 0.0 110.643 177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.562 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -68.53 -47.69 66.26 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -173.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.547 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 97.9 t -57.01 -48.84 96.78 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -175.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.547 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 52.3 Cg_exo -54.54 -41.56 76.13 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 121.704 1.603 . . . . 0.0 112.328 174.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.562 HD12 HD23 ' A' ' 223' ' ' LEU . 76.9 mt -67.67 -54.69 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.114 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.562 HG22 ' O ' ' B' ' 692' ' ' ALA . 11.1 m -60.01 -34.83 57.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.501 HD21 ' HG2' ' B' ' 635' ' ' GLU . 2.0 tm? -61.46 -43.14 99.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.098 176.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -61.41 -50.06 74.37 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 111.156 176.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -60.91 -37.49 82.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.409 -178.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.64 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 41.1 mt -68.74 -39.37 80.36 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.308 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.454 ' HA ' ' HE2' ' B' ' 701' ' ' LYS . 0.7 OUTLIER -60.98 -44.55 97.2 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.33 0.586 . . . . 0.0 110.022 174.705 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 9.3 ttt -53.16 -52.88 57.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.323 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.33 -29.13 59.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.325 -177.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -55.36 -55.98 25.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.102 0.477 . . . . 0.0 110.299 176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.2 mt-10 -70.55 -35.96 73.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.709 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -57.52 -51.67 68.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.0 110.009 175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.574 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 6.0 m0 -68.24 -29.3 68.08 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.642 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -66.17 -43.41 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.86 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.549 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 47.9 mm-40 -62.06 -41.18 97.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . 0.587 ' HB1' HD23 ' A' ' 207' ' ' LEU . . . -65.15 -51.42 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.296 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.541 ' HG2' ' HB2' ' B' ' 715' ' ' ASN . 15.5 tt0 -63.56 -34.81 78.62 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.651 -178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.699 ' HG3' ' HD3' ' B' ' 716' ' ' LYS . 46.5 ttm105 -63.06 -50.24 71.4 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.185 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . 0.444 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -62.73 -46.28 94.0 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.201 -177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -89.4 -66.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 122.483 -0.422 . . . . 0.0 112.055 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.561 ' HA ' ' HE ' ' B' ' 617' ' ' ARG . 3.5 m-20 -67.86 -55.2 13.79 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.361 -0.381 . . . . 0.0 112.006 -171.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.699 ' HD3' ' HG3' ' B' ' 712' ' ' ARG . 64.4 tttp -62.43 -57.8 9.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.682 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 712' ' ' ARG . 40.8 t -53.58 -43.34 53.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 O-C-N 123.402 0.439 . . . . 0.0 111.84 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -57.52 -47.14 82.76 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.277 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.516 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 79.1 ttt180 -66.33 -39.32 89.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.132 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.667 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 5.4 mm-40 -58.55 -34.78 71.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.196 0.522 . . . . 0.0 110.04 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -83.73 -20.74 32.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.048 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -81.18 -34.38 32.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.555 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.516 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 67.2 mm-40 -53.39 -36.34 61.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.927 0.394 . . . . 0.0 111.473 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -132.32 -167.06 1.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 35.3 t80 73.19 -30.54 0.21 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 74.18 147.42 0.09 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.601 0.76 . . . . 0.0 111.497 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.6 mt -86.52 113.65 22.61 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 174.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . 0.584 ' H ' ' HD3' ' B' ' 728' ' ' LYS . 0.0 OUTLIER -92.54 -1.76 56.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.897 0.38 . . . . 0.0 110.826 -177.49 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.608 -0.71 . . . . 0.0 110.558 -179.367 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 12.9 p . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 120.815 0.341 . . . . 0.0 111.424 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -142.23 146.61 35.37 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -84.74 103.93 14.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.987 0.422 . . . . 0.0 110.331 -177.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . 0.512 ' CB ' ' HA ' ' B' ' 710' ' ' ALA . . . -108.79 145.77 34.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.899 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -110.89 118.73 36.89 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.077 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 98.2 mt -84.52 83.42 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.19 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -87.33 -36.63 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 70.72 -62.46 0.44 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.464 0.706 . . . . 0.0 111.144 178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 42.6 tp -84.54 161.22 20.29 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.728 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.555 ' HG ' HD11 ' A' ' 216' ' ' ILE . 0.4 OUTLIER -111.29 162.29 15.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 171.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 17.9 p -54.98 129.53 38.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.388 0.43 . . . . 0.0 111.777 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -53.56 -25.17 16.0 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.449 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.4 -40.32 82.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.819 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -72.8 -39.15 66.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.284 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.555 HD11 ' HG ' ' A' ' 211' ' ' LEU . 2.1 mp -57.4 -44.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 121.021 0.438 . . . . 0.0 109.866 175.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 67.3 mtt -61.7 -42.48 98.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -35.14 80.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.436 178.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 98.6 m-20 -63.83 -47.26 81.51 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 223' ' ' LEU . 10.0 mp -58.63 -41.29 85.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.629 175.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 221' ' ' ARG . 4.2 mmp_? -61.72 -46.59 89.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.442 175.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.613 ' HA ' ' HE3' ' A' ' 225' ' ' LYS . 86.8 m -61.05 -37.5 82.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.295 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.8 mt -55.66 -36.66 67.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.274 0.559 . . . . 0.0 110.411 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . 0.465 HD22 ' N ' ' A' ' 224' ' ' ASN . 0.9 OUTLIER -84.26 -33.4 24.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.845 179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . 0.613 ' HE3' ' HA ' ' A' ' 222' ' ' THR . 57.0 mtmt -67.73 -19.16 65.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.654 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 226' ' ' LEU . 3.3 mm? -81.57 -17.97 46.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.799 0.333 . . . . 0.0 110.992 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -82.18 93.71 7.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 40.0 m . . . . . 0 C--O 1.252 1.224 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.684 -176.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -138.69 127.5 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 67.1 -176.31 0.2 Allowed 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.934 0.772 . . . . 0.0 110.8 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -97.05 -32.57 11.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.749 0.309 . . . . 0.0 110.787 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -99.3 84.54 3.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 51.7 mt -82.68 90.8 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.412 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -104.67 101.47 11.1 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . 0.686 ' HB3' ' HB2' ' B' ' 616' ' ' GLU . 42.5 mtt180 -119.44 122.67 42.25 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.805 0.812 . . . . 0.0 111.986 -178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 77.3 m -144.18 -31.91 0.44 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.385 -1.279 . . . . 0.0 108.762 172.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -80.76 -37.83 29.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.605 178.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 619' ' ' GLU . 60.5 m-20 -108.65 7.54 26.59 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.704 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.686 ' HB2' ' HB3' ' B' ' 612' ' ' ARG . 25.7 tt0 -82.16 -52.09 7.33 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.166 -172.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -63.66 -52.16 61.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.78 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.61 -36.68 76.77 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.248 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.525 ' O ' HG12 ' B' ' 623' ' ' VAL . 9.3 tp10 -57.89 -46.8 84.37 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.023 174.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.487 ' O ' HD23 ' B' ' 624' ' ' LEU . 2.6 mm? -62.22 -51.96 65.68 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.39 -172.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -62.05 -44.46 96.64 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.271 0.558 . . . . 0.0 110.446 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.14 -46.39 78.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.9 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.525 HG12 ' O ' ' B' ' 619' ' ' GLU . 14.8 p -62.33 -38.21 80.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.753 -178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.556 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -61.5 -46.54 89.56 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 110.306 177.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -66.06 -42.99 88.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.004 177.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.574 HG23 ' HB ' ' B' ' 665' ' ' ILE . 35.2 m -60.6 -45.97 92.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.249 0.547 . . . . 0.0 110.422 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.541 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -61.35 -51.21 69.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.201 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.497 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.9 tt -64.56 -32.32 73.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.969 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.82 98.21 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.436 0.636 . . . . 0.0 109.847 173.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.537 HG22 HD23 ' B' ' 634' ' ' LEU . 24.6 m -67.57 -34.48 77.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.092 175.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.541 HG12 ' O ' ' B' ' 627' ' ' ASN . 47.0 mm -58.84 -46.8 90.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 173.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 57.0 mtp180 -52.73 -56.69 13.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.12 178.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.602 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.1 p -65.82 -41.61 90.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.319 -176.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.806 ' HB3' ' HG ' ' B' ' 697' ' ' LEU . 3.0 mm? -62.8 -46.36 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.359 -0.213 . . . . 0.0 111.508 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -60.92 -37.69 83.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.837 0.351 . . . . 0.0 110.387 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -68.5 -43.0 77.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.491 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.602 HG12 ' O ' ' B' ' 633' ' ' VAL . 33.3 mm -60.79 -50.49 80.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.038 178.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -62.4 -35.64 79.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.45 . . . . 0.0 110.791 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -72.44 -33.69 67.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.744 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -73.62 -44.19 57.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.163 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 96.4 mt -58.01 -35.88 71.89 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.908 178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 8.6 p 43.62 32.59 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 173.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 61.24 33.91 18.93 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.116 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.732 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 90.9 mt -57.05 161.64 2.95 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.408 172.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.417 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 38.4 p -78.07 173.29 12.37 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.181 -0.207 . . . . 0.0 110.767 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.12 70.37 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' B' ' 647' ' ' GLU . 1.7 mp0 -60.48 -40.5 91.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.251 0.548 . . . . 0.0 109.964 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.732 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 42.5 mt-10 -79.39 -28.26 41.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.159 -176.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.52 ' OE1' HD22 ' B' ' 641' ' ' LEU . 80.3 mm-40 -72.45 -24.7 61.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.223 0.535 . . . . 0.0 110.306 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -84.66 -35.25 22.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.841 172.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.72 -57.3 12.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.244 176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -103.42 100.47 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 174.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.541 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 15.8 ttp180 -126.44 149.61 49.18 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.702 -174.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 41.1 mt -67.99 102.24 1.26 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.669 -175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -129.22 -64.18 0.91 Allowed 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.285 174.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -100.6 -6.43 25.29 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.156 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -36.28 77.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.953 -175.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.9 mp -91.89 -8.66 45.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.938 0.399 . . . . 0.0 110.911 -177.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -95.0 -174.44 37.81 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.972 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 90.35 115.39 1.71 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.309 -177.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 69.5 p 52.5 -82.25 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.618 1.167 . . . . 0.0 113.804 175.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . 0.622 ' HB3' HD11 ' B' ' 665' ' ' ILE . 22.1 m -78.28 43.44 0.45 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 122.867 0.467 . . . . 0.0 111.768 -175.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -72.33 -50.69 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.998 -176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.59 -43.6 73.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.301 -175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.622 HD11 ' HB3' ' B' ' 662' ' ' SER . 46.9 pt -66.72 -34.02 67.27 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.225 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.183 -176.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -69.7 -47.18 64.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.373 0.606 . . . . 0.0 109.719 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.21 -44.03 85.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.749 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -62.18 -40.93 97.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.256 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -63.28 -43.1 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.862 0.363 . . . . 0.0 110.54 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.13 -44.32 92.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.914 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.424 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 27.6 mt-30 -66.54 -23.78 66.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.78 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -76.04 -30.35 58.41 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.679 0.276 . . . . 0.0 111.086 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.459 HG13 ' CD2' ' B' ' 674' ' ' TYR . 47.8 pt -96.13 -20.28 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.85 0.357 . . . . 0.0 111.281 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.474 ' CD1' HG13 ' B' ' 681' ' ' ILE . 53.9 m-85 -122.34 38.73 4.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.737 177.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -41.91 -35.58 0.88 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -83.66 -45.73 13.11 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -175.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -121.55 38.06 4.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.936 0.398 . . . . 0.0 111.804 -174.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.424 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -59.8 -45.7 91.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.4 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -60.08 -33.3 71.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.625 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.34 -36.77 63.64 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.093 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.474 HG13 ' CD1' ' B' ' 674' ' ' TYR . 41.7 mm -76.8 -40.11 31.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.575 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 36.7 mm -56.39 -46.4 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.95 0.405 . . . . 0.0 110.004 175.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.76 -37.49 76.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.505 177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -59.72 -40.12 96.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.592 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.614 HD21 HG11 ' B' ' 696' ' ' VAL . 96.4 mt -62.29 -40.7 97.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.086 0.469 . . . . 0.0 110.494 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.541 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 55.6 mtp180 -84.32 -2.67 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.432 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -93.69 -62.92 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.5 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.41 ' HA ' ' HD2' ' B' ' 689' ' ' PRO . 6.5 m120 -138.81 92.96 10.93 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.498 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.48 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 30.4 Cg_endo -64.0 -26.0 66.41 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.846 2.364 . . . . 0.0 112.538 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 10.8 p -73.15 -11.92 60.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.759 0.314 . . . . 0.0 111.285 177.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 66.6 mt -108.54 -59.42 3.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.161 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.34 -38.68 63.18 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -171.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.524 ' O ' ' HB2' ' B' ' 697' ' ' LEU . 72.3 t -56.49 -53.85 59.7 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 112.435 0.532 . . . . 0.0 112.435 -174.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 10.5 Cg_endo -55.84 -44.38 48.07 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 121.817 1.678 . . . . 0.0 112.453 178.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.06 -53.97 34.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.161 0.505 . . . . 0.0 110.861 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.614 HG11 HD21 ' B' ' 685' ' ' LEU . 2.0 p -64.57 -34.29 68.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.624 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.806 ' HG ' ' HB3' ' B' ' 634' ' ' LEU . 0.5 OUTLIER -64.06 -44.14 93.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.757 177.377 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' B' ' 694' ' ' PRO . 64.0 mttp -58.19 -44.0 87.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.711 0.291 . . . . 0.0 110.767 177.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.423 ' HG3' ' OH ' ' B' ' 674' ' ' TYR . 33.1 mmt180 -61.0 -40.45 93.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.413 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.403 ' HB3' ' CD1' ' B' ' 631' ' ' ILE . 56.9 mt -63.96 -45.62 88.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.374 177.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 14.0 mmmm -65.97 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.974 0.416 . . . . 0.0 110.587 -179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 53.3 ttp -63.12 -45.41 92.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.3 175.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 58.5 mmtt -72.23 -32.81 67.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.525 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -56.33 -42.84 78.32 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 173.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.84 -49.56 76.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.051 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.69 -50.29 73.68 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.134 179.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.556 ' HB3' ' CD2' ' B' ' 624' ' ' LEU . 7.5 m0 -66.98 -31.58 72.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.842 -176.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -65.3 -44.34 88.21 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.624 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -58.1 -39.86 79.7 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.143 0.497 . . . . 0.0 110.408 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . 0.512 ' HA ' ' CB ' ' A' ' 205' ' ' ALA . . . -72.51 -47.55 47.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.209 178.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.403 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 58.8 tt0 -59.88 -40.28 88.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.017 -178.113 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' B' ' 716' ' ' LYS . 39.8 ttp-105 -60.53 -53.21 60.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.478 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.76 -46.53 94.31 Favored Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.788 -0.642 . . . . 0.0 112.975 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -88.54 -64.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 0.9 OUTLIER -74.29 -52.1 13.28 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -169.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.598 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 50.0 tptt -57.5 -52.02 67.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.611 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 712' ' ' ARG . 62.0 t -64.69 -36.53 77.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 89.0 t90 -59.44 -49.3 78.31 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.452 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 76.0 mtm180 -61.42 -42.52 98.88 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.661 0.267 . . . . 0.0 110.71 -178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 17.1 mm-40 -53.92 -46.6 71.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.453 176.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.466 HE21 HG12 ' B' ' 717' ' ' VAL . 49.4 mt-30 -73.69 -36.7 65.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.602 -179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -71.09 -44.85 64.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.668 -177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.79 -17.41 64.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -101.18 4.81 42.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.314 0.578 . . . . 0.0 110.615 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -121.11 -35.03 3.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.469 -176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -70.08 103.28 2.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.159 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 94.9 mt -98.64 153.24 18.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.502 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -70.54 -34.33 72.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.345 0.593 . . . . 0.0 109.812 177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.472 177.344 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . 0.406 ' HB3' ' OE1' ' B' ' 614' ' ' GLU . 9.2 m . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.58 0.228 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.93 -36.98 81.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.647 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.14 -60.17 3.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.629 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -137.29 157.47 46.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.942 0.401 . . . . 0.0 111.171 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -86.78 141.87 28.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.676 176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.06 109.2 4.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.393 0.616 . . . . 0.0 110.972 178.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -79.49 116.74 19.89 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.777 178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.506 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 24.0 m-85 -74.28 -45.55 46.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 176.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 672' ' ' ARG . 3.8 mm? -74.56 166.85 22.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.185 -176.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 53.1 mt -91.9 160.56 15.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 167.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 20.4 p -69.09 131.42 44.97 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 217' ' ' MET . 13.5 t70 -55.86 -33.89 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 110.755 -175.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.75 -47.68 81.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.112 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -75.59 -26.19 57.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.529 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 52.4 mt -61.32 -45.88 97.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.243 0.544 . . . . 0.0 109.743 172.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.576 ' O ' ' HG2' ' A' ' 221' ' ' ARG . 73.4 mtp -66.43 -37.39 85.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.077 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -54.87 -49.05 72.09 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.228 0.537 . . . . 0.0 110.038 175.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.414 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 5.7 t70 -59.74 -52.04 67.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 54.7 tp -55.3 -43.65 75.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.628 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 217' ' ' MET . 36.0 mmt180 -64.29 -41.52 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.821 0.343 . . . . 0.0 110.428 178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 54.6 m -61.23 -33.26 73.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.23 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.518 ' CD2' ' HA ' ' B' ' 692' ' ' ALA . 90.6 mt -62.52 -34.02 76.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.489 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -89.64 -36.33 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.329 0.585 . . . . 0.0 110.226 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 32.3 mmtm -64.39 -57.46 9.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.469 HD22 HD11 ' B' ' 691' ' ' ILE . 58.0 tp 50.51 76.88 0.13 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.365 0.602 . . . . 0.0 110.133 -170.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -88.68 142.27 27.82 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.729 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.64 176.635 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.005 0.431 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -86.08 104.24 15.49 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.149 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -103.56 -21.74 13.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.99 0.424 . . . . 0.0 110.908 179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -135.34 157.07 47.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.517 -176.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 66.28 35.01 6.13 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.282 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 66.5 mt -83.29 115.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.277 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -80.47 78.38 7.18 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.435 0.636 . . . . 0.0 110.311 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -65.73 -27.29 68.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.715 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 73.1 m -104.35 137.26 42.5 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.52 174.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' ' 202' ' ' SER . 38.3 mt-10 -68.91 -22.34 64.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.221 0.534 . . . . 0.0 109.66 174.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 66.14 14.3 9.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.551 -178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -67.28 -19.92 65.57 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 171.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.545 ' HA ' HD12 ' B' ' 620' ' ' LEU . 31.9 ttm105 -58.67 -26.19 63.56 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.647 174.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -65.78 -43.42 88.85 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.36 -33.24 75.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.752 175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' B' ' 617' ' ' ARG . 89.7 mt -63.45 -43.43 97.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 178.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -60.9 -46.46 90.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.26 0.552 . . . . 0.0 109.596 176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.66 -47.66 92.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.607 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' B' ' 620' ' ' LEU . 9.0 p -66.83 -33.89 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.009 -178.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 624' ' ' LEU . 2.5 mm? -65.7 -39.1 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.33 . . . . 0.0 110.114 175.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.43 -49.58 74.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.152 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.676 HG22 ' HB2' ' B' ' 669' ' ' ALA . 29.3 m -55.13 -43.52 74.21 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.594 0.711 . . . . 0.0 110.125 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.477 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.9 t-20 -57.79 -61.16 2.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.625 176.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.43 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 3.7 mm? -56.49 -40.79 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.48 85.56 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.365 0.602 . . . . 0.0 110.683 178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.551 ' HA ' HG12 ' B' ' 633' ' ' VAL . 33.3 m -72.29 -31.65 65.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.853 179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.477 HG12 ' O ' ' B' ' 627' ' ' ASN . 20.0 mm -57.04 -50.84 75.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.913 172.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 78.8 mtp180 -56.79 -52.34 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.602 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' B' ' 630' ' ' THR . 13.7 p -65.32 -43.04 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.686 -175.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.567 HD23 HD12 ' B' ' 637' ' ' ILE . 30.2 mt -68.41 -36.74 79.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 121.065 -0.254 . . . . 0.0 111.364 -178.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.54 -40.03 95.96 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.308 174.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -61.59 -43.44 98.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.071 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' B' ' 641' ' ' LEU . 81.3 mt -63.35 -53.6 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.817 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . 0.532 ' HG2' HG12 ' B' ' 693' ' ' VAL . 0.0 OUTLIER -56.23 -43.46 78.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -176.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -77.09 -24.72 51.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.388 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -75.46 -34.27 60.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.205 0.526 . . . . 0.0 109.864 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.8 mt -67.69 -62.82 1.23 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.248 176.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 40.5 m 55.18 39.13 31.33 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.86 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' B' ' 643' ' ' ARG . 32.3 mtm180 68.77 85.94 0.14 Allowed 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.448 -179.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 54.5 mt -94.57 151.7 19.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.764 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 3.8 m -72.16 159.07 34.74 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . 0.622 ' HA ' HE21 ' B' ' 649' ' ' GLN . . . -57.13 -37.4 71.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.048 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.16 -41.99 97.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.227 0.536 . . . . 0.0 110.054 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.497 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 45.5 mt-10 -70.86 -33.43 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.622 HE21 ' HA ' ' B' ' 646' ' ' ALA . 47.7 mt-30 -67.39 -27.24 66.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.172 0.511 . . . . 0.0 110.386 176.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.0 57.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.062 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 651' ' ' LYS . 36.7 ttpt -63.9 -60.94 2.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.952 178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -107.21 103.63 13.06 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.986 0.422 . . . . 0.0 109.875 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -123.04 148.16 45.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.656 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.526 HD11 HG23 ' B' ' 637' ' ' ILE . 2.5 mm? -76.68 95.9 4.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.855 0.36 . . . . 0.0 111.569 -173.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.49 -38.94 2.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.27 173.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -105.6 -17.03 14.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.122 0.487 . . . . 0.0 111.372 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . 0.415 ' HB ' HD12 ' B' ' 654' ' ' LEU . 1.2 m -67.53 -26.38 66.29 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.049 -174.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 10.2 mp -91.68 1.46 57.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.627 -0.261 . . . . 0.0 111.02 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.602 ' HA2' ' HG2' ' B' ' 663' ' ' GLU . . . -93.92 -131.79 6.21 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.22 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 94.07 -67.41 1.5 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.684 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 25.6 m -158.46 -51.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.22 0.533 . . . . 0.0 110.544 179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . 0.709 ' HB2' ' HB ' ' B' ' 665' ' ' ILE . 4.0 p -88.8 47.45 1.5 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.541 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.602 ' HG2' ' HA2' ' B' ' 659' ' ' GLY . 42.6 mt-10 -60.07 -48.34 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 176.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.12 -36.88 70.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.145 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.709 ' HB ' ' HB2' ' B' ' 662' ' ' SER . 67.5 mt -70.25 -44.58 77.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.083 -177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 32.2 m-70 -69.23 -38.66 78.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.261 0.553 . . . . 0.0 109.993 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -60.94 -54.92 39.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.001 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -59.66 -34.81 73.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.458 -178.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.676 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -64.76 -47.31 78.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.928 0.394 . . . . 0.0 110.967 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.515 HD23 HD13 ' B' ' 682' ' ' ILE . 12.9 tp -68.28 -33.45 74.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.061 -179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.453 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 98.2 mt-30 -73.84 -23.86 59.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.396 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.545 ' O ' HD13 ' A' ' 210' ' ' LEU . 61.6 ttm-85 -80.2 -4.34 52.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 0.0 110.778 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.41 HG13 ' CD2' ' B' ' 674' ' ' TYR . 15.7 pt -121.87 -39.83 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.528 175.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.615 ' CD1' HG13 ' B' ' 681' ' ' ILE . 82.5 m-85 -105.34 23.0 14.43 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-O 119.412 -0.327 . . . . 0.0 111.847 -178.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -30.92 -58.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -170.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -73.03 -24.0 60.67 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -171.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -119.93 27.12 8.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.453 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -59.84 -46.72 88.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.462 -175.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -59.92 -28.47 67.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.058 0.456 . . . . 0.0 111.069 179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -75.3 -41.9 55.94 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.615 HG13 ' CD1' ' B' ' 674' ' ' TYR . 27.8 mm -80.39 -30.79 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.229 -176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.515 HD13 HD23 ' B' ' 670' ' ' LEU . 27.5 mm -56.61 -39.99 66.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-O 121.516 0.674 . . . . 0.0 109.272 171.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -76.47 -27.77 56.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.95 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -54.85 -51.36 53.71 Favored Glycine 0 C--N 1.338 0.665 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.677 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.4 -24.15 67.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.778 0.323 . . . . 0.0 111.829 -176.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -89.77 -45.36 9.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.523 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -57.12 -57.52 12.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.182 -176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.57 87.83 17.18 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.097 -179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.464 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 19.2 Cg_endo -59.53 -39.27 76.85 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.427 2.084 . . . . 0.0 112.656 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 49.6 m -77.45 1.15 20.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 111.344 -178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.469 HD11 HD22 ' A' ' 226' ' ' LEU . 56.9 mt -112.48 -56.07 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.222 174.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.518 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -71.72 -51.76 21.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -174.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.532 HG12 ' HG2' ' B' ' 638' ' ' GLN . 84.6 t -49.18 -50.89 61.15 Favored Pre-proline 0 CA--C 1.539 0.544 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -173.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 13.8 Cg_endo -57.29 -46.8 25.68 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 122.008 1.805 . . . . 0.0 112.975 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.52 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 16.5 mt -68.29 -53.21 30.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.488 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.25 -43.35 89.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.956 -177.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' B' ' 634' ' ' LEU . 51.4 tp -65.57 -37.56 87.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.735 177.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.47 -39.41 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.704 0.288 . . . . 0.0 110.664 178.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 36.5 mmt180 -63.53 -37.15 86.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.182 0.515 . . . . 0.0 109.633 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.459 HD22 HD12 ' B' ' 634' ' ' LEU . 45.0 tp -71.96 -29.04 63.85 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.813 -179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' B' ' 701' ' ' LYS . 64.2 mmtt -73.29 -34.84 65.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.082 176.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 57.1 ttp -66.84 -41.32 87.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.335 0.588 . . . . 0.0 109.503 175.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.65 -35.44 72.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.53 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 27.2 tt0 -53.38 -52.47 59.17 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.217 0.532 . . . . 0.0 109.988 175.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 33.6 tt0 -54.55 -54.43 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.543 175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 57.9 tt0 -56.27 -52.91 62.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.881 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.506 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 7.3 m0 -59.94 -41.34 91.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -70.1 -30.02 67.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.99 -178.35 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 43.4 mm-40 -69.6 -38.22 77.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . 0.438 ' O ' ' HD2' ' B' ' 714' ' ' PHE . . . -67.53 -39.68 85.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.224 0.535 . . . . 0.0 109.792 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.464 ' HG2' ' HB3' ' B' ' 715' ' ' ASN . 34.3 tt0 -60.09 -36.23 76.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.593 177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 30.3 ttm-85 -55.45 -46.17 76.81 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 178.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -77.7 -37.07 31.26 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.851 -0.69 . . . . 0.0 113.193 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . 0.438 ' HD2' ' O ' ' B' ' 710' ' ' ALA . 93.8 m-85 -88.76 -61.64 1.66 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.01 0.405 . . . . 0.0 112.081 -177.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.502 ' HA ' ' HD3' ' B' ' 617' ' ' ARG . 25.3 t-20 -65.6 -55.02 19.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.503 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' B' ' 720' ' ' GLU . 26.7 ttpp -64.28 -54.02 39.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.317 -175.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.456 ' O ' ' HG2' ' B' ' 721' ' ' GLN . 92.0 t -59.6 -41.51 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.499 -176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -60.32 -45.6 92.84 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.229 176.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -60.68 -45.46 94.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.605 179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' B' ' 716' ' ' LYS . 50.0 mt-10 -60.89 -44.86 96.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.355 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' B' ' 717' ' ' VAL . 30.5 mm-40 -72.61 -26.78 61.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 111.22 -178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.32 -47.86 12.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -80.4 -36.63 33.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.822 -175.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -104.36 145.16 30.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.293 0.568 . . . . 0.0 111.172 -179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -92.01 86.11 5.74 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.992 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -83.87 -13.5 53.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.394 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 50.1 mt -90.09 45.01 1.24 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.537 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -85.05 -15.49 43.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.606 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 34.8 t . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.652 -0.689 . . . . 0.0 109.722 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -94.78 123.21 38.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.082 0.467 . . . . 0.0 110.523 177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -163.49 132.15 3.84 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.106 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -79.24 85.3 5.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -89.64 127.1 35.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.556 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -141.19 149.23 41.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.967 -176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -88.32 137.43 32.33 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -73.63 -21.07 60.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.794 0.331 . . . . 0.0 111.187 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' B' ' 673' ' ' ILE . 6.7 mp -84.5 171.77 12.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.127 0.489 . . . . 0.0 111.624 -176.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.535 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 62.9 mt -100.75 -169.0 1.65 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.206 174.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . 0.482 ' O ' HG13 ' A' ' 216' ' ' ILE . 21.6 p -104.18 138.98 39.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.086 -0.338 . . . . 0.0 110.086 172.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -55.85 -38.08 69.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.616 -175.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -57.77 -45.21 86.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.362 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.25 -32.47 70.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.342 . . . . 0.0 110.323 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.637 HG21 ' HB2' ' B' ' 677' ' ' LYS . 60.8 mt -65.23 -38.79 83.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.405 0.622 . . . . 0.0 109.98 175.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.662 ' SD ' ' HE2' ' B' ' 677' ' ' LYS . 87.9 mmm -65.67 -38.78 90.26 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.606 177.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.3 -40.45 94.21 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.612 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 9.2 t70 -56.48 -55.08 38.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.589 175.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' B' ' 680' ' ' ASP . 96.0 mt -55.92 -44.89 78.75 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.753 179.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -59.03 -46.14 88.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.395 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 87.8 m -63.7 -41.08 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.641 HD23 HD12 ' B' ' 695' ' ' ILE . 89.4 mt -53.99 -38.42 65.03 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.921 0.391 . . . . 0.0 111.395 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -101.8 13.49 34.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.744 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 225' ' ' LYS . 34.7 mmtm -107.89 -3.84 18.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.85 0.357 . . . . 0.0 111.13 175.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.459 HD22 HG23 ' B' ' 691' ' ' ILE . 9.1 mp -108.14 135.91 48.7 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 173.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -121.93 121.18 36.51 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.111 0.482 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.25 1.087 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 174.584 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . 0.644 ' HB3' ' HB3' ' B' ' 609' ' ' HIS . 9.2 m120 -108.31 113.65 26.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.12 -178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -102.32 -48.02 4.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.588 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -94.4 2.94 55.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.271 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . 0.644 ' HB3' ' HB3' ' B' ' 606' ' ' ASN . 18.7 t-80 -105.24 89.29 3.08 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.72 111.31 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.517 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -116.22 96.83 5.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.973 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -135.83 -27.36 1.14 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.733 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 71.9 m -145.19 118.44 8.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.908 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -112.78 -77.19 0.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.58 10.24 41.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.527 0.679 . . . . 0.0 110.174 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.45 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 2.2 tp10 -69.11 -52.81 24.46 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.502 -174.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.424 ' HA ' HD12 ' B' ' 620' ' ' LEU . 0.1 OUTLIER -64.25 -38.56 91.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.999 179.007 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.468 ' O ' HG23 ' B' ' 622' ' ' VAL . 80.1 t80 -59.91 -45.47 92.45 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.629 ' O ' HG23 ' B' ' 623' ' ' VAL . 42.3 tt0 -62.48 -38.63 90.57 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.23 177.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.466 ' O ' HD23 ' B' ' 624' ' ' LEU . 93.7 mt -57.7 -46.1 84.81 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.756 0.312 . . . . 0.0 110.59 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . 0.454 ' HA ' ' NE2' ' B' ' 711' ' ' GLN . 1.9 m-20 -63.8 -40.94 97.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.945 178.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . 0.468 HG23 ' O ' ' B' ' 618' ' ' PHE . 96.4 t -60.41 -46.52 95.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.52 176.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 619' ' ' GLU . 84.5 t -56.1 -57.02 9.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.466 HD23 ' O ' ' B' ' 620' ' ' LEU . 4.4 mm? -58.03 -47.4 83.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.571 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -63.89 -46.98 82.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.056 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.557 HG22 ' HB2' ' B' ' 669' ' ' ALA . 28.4 m -62.11 -35.08 77.61 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.297 0.57 . . . . 0.0 109.999 178.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.453 HD22 HD22 ' B' ' 628' ' ' LEU . 6.5 t30 -62.05 -53.52 54.38 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.09 175.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.453 HD22 HD22 ' B' ' 627' ' ' ASN . 3.6 mm? -56.47 -39.8 73.8 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.445 0.466 . . . . 0.0 111.52 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.58 -45.2 89.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.356 0.598 . . . . 0.0 110.366 175.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 41.9 m -68.46 -39.26 81.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.064 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.56 HD11 ' HG ' ' B' ' 700' ' ' LEU . 32.0 mm -58.78 -55.68 21.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.482 174.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 632' ' ' ARG . 27.4 mtm180 -56.05 -46.03 79.04 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.965 -175.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.487 ' O ' HG13 ' B' ' 637' ' ' ILE . 11.6 p -68.58 -44.28 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.221 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.601 HD23 HD12 ' B' ' 637' ' ' ILE . 46.2 mt -67.6 -35.7 79.46 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 121.273 -0.171 . . . . 0.0 111.265 -178.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.96 -44.43 94.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.722 0.296 . . . . 0.0 110.229 175.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.08 96.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.253 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.612 HG21 HD21 ' B' ' 654' ' ' LEU . 95.2 mt -66.17 -52.48 47.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.178 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -57.55 -46.83 83.44 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.995 0.426 . . . . 0.0 111.345 -177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -72.44 -24.24 61.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.766 -176.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -76.14 -40.2 53.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.087 171.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 96.0 mt -59.06 -58.81 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.508 177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 11.8 p 47.19 41.93 12.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.343 -177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . 0.642 ' HA ' ' OG ' ' B' ' 690' ' ' SER . 71.8 mtp180 65.8 93.71 0.07 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.565 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.617 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 78.8 mt -97.6 153.64 18.06 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.073 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 50.4 m -80.77 173.96 12.09 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.736 172.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -56.99 -47.82 79.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.839 0.352 . . . . 0.0 111.616 -176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.01 -38.48 86.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.768 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 48.4 mt-10 -68.73 -34.16 75.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.428 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.2 mt-30 -72.57 -23.05 60.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.001 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -79.09 -38.86 35.22 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -66.92 -59.29 3.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.128 176.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -110.69 105.29 14.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.702 179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 28.4 ttm180 -130.03 160.11 34.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.719 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.612 HD21 HG21 ' B' ' 637' ' ' ILE . 87.2 mt -73.53 83.68 1.51 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.268 0.556 . . . . 0.0 111.408 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -112.72 -74.73 0.62 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.687 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -89.67 -28.07 19.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.156 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.1 m -66.3 -32.06 73.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.372 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.478 HD22 HD13 ' B' ' 654' ' ' LEU . 52.4 tp -95.9 -40.08 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.093 178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.587 ' HA2' ' HA ' ' B' ' 663' ' ' GLU . . . -104.31 -97.84 2.48 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.797 -0.716 . . . . 0.0 111.81 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 57.54 -108.98 1.53 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 121.19 -0.528 . . . . 0.0 112.83 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 52.5 p -91.97 -28.27 17.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.158 0.504 . . . . 0.0 111.044 -178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 15.3 m -108.12 27.72 9.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.72 -173.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.587 ' HA ' ' HA2' ' B' ' 659' ' ' GLY . 29.8 tt0 -55.53 -60.27 3.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.074 -177.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.01 -37.16 33.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 O-C-N 123.612 0.57 . . . . 0.0 111.857 -173.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 61.9 mt -60.54 -51.39 73.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.069 0.462 . . . . 0.0 111.0 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -82.32 -32.23 29.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.49 . . . . 0.0 110.155 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -59.21 -51.07 71.57 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.443 175.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -69.07 -41.79 77.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.963 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.557 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -61.04 -42.17 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.242 -179.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 17.0 tp -69.71 -37.12 76.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.484 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -68.32 -23.7 64.75 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.374 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 210' ' ' LEU . 41.3 ttm180 -60.42 -28.54 68.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.644 0.259 . . . . 0.0 111.01 177.015 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.535 ' HB ' ' HG ' ' A' ' 211' ' ' LEU . 18.1 pt -110.24 -41.96 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.412 ' CD1' HG23 ' A' ' 216' ' ' ILE . 22.7 m-85 -100.04 27.65 5.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-O 119.654 -0.212 . . . . 0.0 111.459 -176.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -32.82 -58.93 0.35 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -174.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -71.11 -36.87 72.33 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.662 ' HE2' ' SD ' ' A' ' 217' ' ' MET . 46.7 mmtm -114.77 26.74 9.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.814 0.34 . . . . 0.0 111.084 -174.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.366 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.12 -28.94 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.701 179.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . 0.445 ' HB3' ' CD2' ' A' ' 220' ' ' LEU . 4.2 m-20 -77.9 -41.57 36.17 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.776 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 50.5 mm -65.1 -47.01 89.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.063 0.458 . . . . 0.0 110.231 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.84 -38.8 82.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.68 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' B' ' 687' ' ' LYS . 17.2 t70 -56.58 -50.16 72.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.188 172.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.03 -42.74 99.75 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.368 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.695 HD21 HG21 ' B' ' 696' ' ' VAL . 72.1 mt -56.77 -45.41 82.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.977 0.418 . . . . 0.0 111.126 177.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.515 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 65.4 mtp180 -91.93 17.11 9.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 0.0 110.367 -177.083 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' B' ' 683' ' ' ASP . 2.7 tppp? -116.82 -57.87 2.13 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 177.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -133.8 82.64 49.47 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.937 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.44 -27.74 54.48 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.184 1.923 . . . . 0.0 112.154 -178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . 0.642 ' OG ' ' HA ' ' B' ' 643' ' ' ARG . 11.5 t -74.86 -6.13 47.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.237 0.541 . . . . 0.0 110.434 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.459 HG23 HD22 ' A' ' 226' ' ' LEU . 68.3 mt -111.54 -53.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.01 176.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.568 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -68.83 -51.06 44.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.622 -174.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.544 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 90.8 t -53.94 -49.3 90.39 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.544 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.3 Cg_exo -55.77 -41.19 79.96 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 121.697 1.598 . . . . 0.0 112.604 176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.641 HD12 HD23 ' A' ' 223' ' ' LEU . 51.4 mt -71.09 -50.22 43.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.778 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.695 HG21 HD21 ' B' ' 685' ' ' LEU . 17.9 m -64.19 -35.08 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . . . . . . . . . 7.6 mt -66.87 -36.04 81.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -64.37 -44.19 92.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.196 0.522 . . . . 0.0 109.759 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -46.84 86.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.059 175.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.56 ' HG ' HD11 ' B' ' 631' ' ' ILE . 27.0 tp -66.07 -36.44 83.22 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.194 -176.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.68 -42.29 91.45 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.094 0.474 . . . . 0.0 110.411 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -59.84 -46.52 89.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.097 175.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -71.43 -32.63 68.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.91 -51.23 70.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' B' ' 709' ' ' GLU . 44.0 mt-10 -61.03 -39.05 88.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.448 178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -59.0 -54.38 47.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.827 0.346 . . . . 0.0 110.115 177.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -61.01 -44.23 97.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.754 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -65.18 -42.21 93.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.093 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' B' ' 705' ' ' GLU . 25.2 mt-10 -66.47 -37.49 85.24 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.468 177.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -63.43 -49.22 74.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.047 0.451 . . . . 0.0 110.476 176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' B' ' 621' ' ' ASP . 37.7 tt0 -63.98 -34.2 77.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.573 178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.51 -42.79 99.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . 0.515 ' O ' ' HB ' ' B' ' 717' ' ' VAL . . . -67.98 -35.27 83.86 Favored Glycine 0 CA--C 1.519 0.325 0 CA-C-N 115.876 -0.602 . . . . 0.0 113.067 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -88.67 -64.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.923 0.362 . . . . 0.0 111.74 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.461 ' O ' ' HG3' ' B' ' 719' ' ' ARG . 47.8 t-20 -70.12 -56.08 7.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.314 -172.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.543 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 21.2 tptm -67.3 -44.33 79.5 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.073 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' B' ' 713' ' ' GLY . 57.3 t -62.7 -36.59 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.407 0.146 . . . . 0.0 110.826 177.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -55.73 -47.87 76.18 Favored 'General case' 0 C--O 1.226 -0.158 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 173.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' B' ' 715' ' ' ASN . 74.1 mtt180 -59.3 -50.12 75.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.326 177.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 8.0 mm-40 -54.41 -43.85 71.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.956 -177.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 78.0 mm-40 -89.31 -34.44 16.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -71.77 -43.61 65.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.859 0.361 . . . . 0.0 110.482 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -75.51 -56.84 4.31 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 174.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 38.8 tttp 51.72 90.34 0.02 OUTLIER 'General case' 0 C--O 1.234 0.261 0 CA-C-N 114.469 -1.241 . . . . 0.0 111.951 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -146.82 43.76 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.83 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . 0.439 ' HD2' ' HG ' ' B' ' 727' ' ' LEU . 66.4 t80 -66.62 -32.48 73.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.606 0.717 . . . . 0.0 110.149 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . 0.439 ' HG ' ' HD2' ' B' ' 726' ' ' TYR . 82.2 mt -128.28 -167.29 1.74 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.748 -1.115 . . . . 0.0 109.392 -179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -90.24 -86.41 0.2 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.862 -0.59 . . . . 0.0 109.454 173.587 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 18.8 t . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 120.905 0.383 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -142.03 119.11 11.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.394 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -88.79 81.37 6.99 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -82.59 99.2 9.4 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.637 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -83.04 117.25 22.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.07 0.462 . . . . 0.0 109.936 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 89.2 mt -100.63 93.95 5.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.18 178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.86 -27.25 40.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.176 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.7 ' HB3' ' HD2' ' B' ' 672' ' ' ARG . 85.2 m-85 69.74 -62.36 0.42 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.643 -179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . . . . . . . . . 18.8 tp -62.7 156.83 22.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.786 179.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.406 ' HA ' HD13 ' A' ' 211' ' ' LEU . 4.2 mm? -81.99 164.82 21.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 171.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . 0.43 ' O ' HG13 ' A' ' 216' ' ' ILE . 24.6 p -68.1 147.4 52.38 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.009 176.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -52.14 -38.58 58.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.43 -177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -67.58 -36.91 81.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.267 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -77.1 -31.01 55.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.595 0.236 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.482 HG12 ' HD1' ' B' ' 674' ' ' TYR . 75.1 mt -59.67 -50.32 80.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.588 0.709 . . . . 0.0 109.719 174.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 40.6 ttm -68.41 -28.11 66.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.637 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.46 -49.88 76.07 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 13.0 m-20 -63.11 -46.36 87.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.479 -179.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 14.1 tp -60.74 -36.53 79.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.936 0.398 . . . . 0.0 110.325 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -73.72 -34.02 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.17 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 88.4 m -62.51 -41.02 98.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.838 0.352 . . . . 0.0 110.174 176.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 71.4 mt -61.9 -36.86 82.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.274 0.559 . . . . 0.0 110.046 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -15.91 60.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.673 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 51.1 mttm -76.95 -20.58 55.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.374 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.435 ' HG ' HG23 ' B' ' 691' ' ' ILE . 4.5 mm? -86.6 139.2 31.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.953 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -80.9 95.29 6.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.441 176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.399 178.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.812 0.339 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -126.67 -25.27 3.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 177.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . 73.34 -59.43 0.57 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.241 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.9 135.29 53.61 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -78.69 86.25 4.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.256 0.551 . . . . 0.0 111.327 -173.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 51.4 mm -84.4 134.46 26.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.049 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.552 ' HE1' ' HB3' ' B' ' 614' ' ' GLU . 47.1 t80 -57.01 105.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.314 0.578 . . . . 0.0 111.511 -178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 70.4 mtt180 -141.87 111.91 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.864 176.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 57.2 m 59.39 89.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.599 0.562 . . . . 0.0 112.074 174.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.552 ' HB3' ' HE1' ' B' ' 611' ' ' TYR . 9.5 tp10 -136.21 6.26 3.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.1 0.476 . . . . 0.0 110.496 177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -135.46 18.21 3.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.937 0.399 . . . . 0.0 110.104 -173.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -63.18 1.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.881 -169.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -51.46 -46.19 62.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.577 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -60.12 -42.49 94.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.798 -176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . 0.405 ' O ' HG12 ' B' ' 623' ' ' VAL . 17.7 tt0 -67.11 -33.67 75.95 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.264 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.65 -49.47 66.1 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.649 0.261 . . . . 0.0 110.574 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.24 -39.63 87.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.681 0.277 . . . . 0.0 111.134 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.26 -51.54 46.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.436 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.414 HG13 HD22 ' B' ' 624' ' ' LEU . 14.2 p -64.34 -39.4 85.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 C-N-CA 120.869 -0.333 . . . . 0.0 110.8 -177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.0 mm? -64.51 -45.46 87.15 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.278 -0.169 . . . . 0.0 111.042 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.64 -50.8 67.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.768 0.318 . . . . 0.0 110.72 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . . . . . . . . . 20.3 m -57.58 -43.24 84.41 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.441 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.429 ' O ' HG12 ' B' ' 631' ' ' ILE . 6.3 t30 -63.65 -49.6 72.58 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.925 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.14 -38.66 80.19 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.575 0.226 . . . . 0.0 111.464 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -61.96 -45.11 95.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.085 0.469 . . . . 0.0 110.204 175.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 35.2 m -66.07 -39.52 90.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.901 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.584 HD11 ' HG ' ' B' ' 700' ' ' LEU . 29.7 mm -57.46 -55.89 18.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.964 0.411 . . . . 0.0 110.72 175.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -59.24 -42.86 92.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.819 -175.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.528 ' O ' HG13 ' B' ' 637' ' ' ILE . 14.8 p -70.32 -42.0 78.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.884 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.592 HD23 HD12 ' B' ' 637' ' ' ILE . 38.5 mt -68.29 -38.87 82.11 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.312 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.58 ' HG2' HD21 ' B' ' 697' ' ' LEU . 2.2 mt-10 -66.78 -34.09 77.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.617 0.246 . . . . 0.0 110.422 176.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.75 86.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.14 0.495 . . . . 0.0 109.935 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.592 HD12 HD23 ' B' ' 634' ' ' LEU . 96.8 mt -60.33 -51.98 66.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.669 176.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . 0.442 HE22 ' HG3' ' B' ' 694' ' ' PRO . 6.2 tp60 -59.52 -37.27 77.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.866 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -64.77 -34.69 78.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.655 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.62 -30.04 33.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' B' ' 637' ' ' ILE . 76.1 mt -70.55 -68.64 0.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.793 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 22.8 t 62.24 18.24 9.98 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.645 -176.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . 0.499 ' HA ' ' HB3' ' B' ' 690' ' ' SER . 56.6 mtt85 71.62 92.6 0.08 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.997 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.685 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 88.9 mt -101.59 174.34 6.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.0 m -79.88 169.65 17.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.089 178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -57.0 -43.8 82.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 111.038 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.31 -40.72 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.971 177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.685 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 34.8 mt-10 -79.8 -29.36 40.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -176.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -73.86 -33.6 64.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.85 0.357 . . . . 0.0 111.012 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.7 -21.85 57.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.354 0.597 . . . . 0.0 109.777 173.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -76.08 -61.08 2.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.795 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -105.34 88.74 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.448 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' B' ' 686' ' ' ARG . 44.7 ttp180 -107.25 152.16 24.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.76 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.528 HD21 HG23 ' B' ' 637' ' ' ILE . 52.3 mt -80.51 97.11 7.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.03 -178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -107.35 -84.07 0.53 Allowed 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.232 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -74.84 -17.29 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.23 0.538 . . . . 0.0 110.503 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 3.3 m -64.49 -29.43 70.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.171 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.9 tt -120.76 -46.91 2.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.383 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.557 ' HA2' ' HB3' ' B' ' 663' ' ' GLU . . . -110.37 59.22 0.36 Allowed Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.182 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -113.85 -117.49 3.33 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.896 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 38.8 p -91.46 -11.55 37.26 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.294 0.568 . . . . 0.0 110.473 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 13.4 m -113.9 23.6 12.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.572 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.557 ' HB3' ' HA2' ' B' ' 659' ' ' GLY . 7.6 pt-20 -65.36 -27.8 68.83 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.07 -48.02 79.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 38.5 pt -70.54 -36.45 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.727 0.299 . . . . 0.0 111.034 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . 0.45 ' NE2' HG11 ' B' ' 633' ' ' VAL . 74.0 m80 -65.82 -54.04 32.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.49 -176.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 36.1 ttp180 -71.23 -39.39 71.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 -175.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -63.53 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.8 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.52 86.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.856 0.36 . . . . 0.0 110.536 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' B' ' 670' ' ' LEU . 0.2 OUTLIER -64.67 -38.25 90.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 110.014 177.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 93.8 mt-30 -72.97 -24.24 60.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.813 177.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.7 ' HD2' ' HB3' ' A' ' 209' ' ' TYR . 17.6 tpp180 -67.67 -28.06 67.37 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.578 177.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 32.4 pt -101.62 -30.62 3.09 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.482 ' HD1' HG12 ' A' ' 216' ' ' ILE . 42.3 m-85 -137.97 52.44 1.86 Allowed 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 120.377 0.132 . . . . 0.0 111.173 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -39.79 -54.65 2.08 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -80.49 -3.13 48.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.555 ' O ' HG12 ' B' ' 681' ' ' ILE . 7.5 tppt? -141.62 14.31 2.14 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.242 -0.583 . . . . 0.0 111.567 -175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.5 88.01 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.964 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -55.9 -44.43 78.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.859 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.44 -35.62 79.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.298 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.555 HG12 ' O ' ' B' ' 677' ' ' LYS . 41.1 mm -73.16 -37.7 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.624 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.4 mp -59.51 -39.97 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.755 178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -63.24 -40.69 98.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.037 0.446 . . . . 0.0 110.404 175.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.44 -45.59 94.53 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 112.115 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.682 HD21 HG11 ' B' ' 696' ' ' VAL . 95.8 mt -59.41 -40.99 88.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.985 0.421 . . . . 0.0 110.765 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.528 ' O ' ' HG3' ' B' ' 653' ' ' ARG . 1.0 OUTLIER -65.46 -71.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -77.46 -25.78 50.82 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.646 -168.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.432 ' HB3' HD12 ' B' ' 691' ' ' ILE . 10.4 m120 -130.92 62.68 66.88 Favored Pre-proline 0 C--N 1.326 -0.414 0 O-C-N 122.339 -0.225 . . . . 0.0 110.892 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.458 ' O ' ' HB ' ' B' ' 693' ' ' VAL . 32.9 Cg_endo -63.67 -37.93 43.69 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.056 1.837 . . . . 0.0 112.689 -173.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . 0.499 ' HB3' ' HA ' ' B' ' 643' ' ' ARG . 50.9 m -74.84 -2.69 27.86 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.858 -0.526 . . . . 0.0 111.107 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.435 HG23 ' HG ' ' A' ' 226' ' ' LEU . 42.3 mt -106.19 -62.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.013 177.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -74.46 -39.26 62.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.623 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 64.4 t -54.46 -55.23 39.71 Favored Pre-proline 0 N--CA 1.467 0.379 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.623 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 51.6 Cg_exo -53.77 -46.81 30.94 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.101 1.867 . . . . 0.0 112.852 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . . . . . . . . . 30.6 mt -67.8 -50.91 55.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.682 HG11 HD21 ' B' ' 685' ' ' LEU . 0.8 OUTLIER -65.83 -34.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -176.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.58 HD21 ' HG2' ' B' ' 635' ' ' GLU . 59.0 tp -68.32 -37.0 80.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.205 177.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -60.81 -45.26 95.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.225 0.536 . . . . 0.0 110.031 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.434 ' HG3' ' OD2' ' A' ' 219' ' ' ASP . 35.7 mmt180 -65.7 -40.33 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.553 178.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.584 ' HG ' HD11 ' B' ' 631' ' ' ILE . 31.3 tp -71.43 -33.34 69.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.076 -175.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.46 ' HD2' ' HA ' ' B' ' 701' ' ' LYS . 7.7 tptm -70.39 -38.11 74.64 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.803 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 51.0 ttp -61.62 -45.04 95.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.076 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.484 ' HB3' ' CZ3' ' B' ' 707' ' ' TRP . 53.8 mmtt -68.18 -36.36 79.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.245 177.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.416 ' HG3' HG13 ' B' ' 631' ' ' ILE . 2.8 tm-20 -55.89 -44.6 78.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.933 0.397 . . . . 0.0 110.151 176.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -63.78 -47.36 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.372 176.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -57.51 -49.15 77.24 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.484 ' CZ3' ' HB3' ' B' ' 703' ' ' LYS . 6.7 m0 -64.26 -39.28 93.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.653 -178.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -35.14 78.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.982 178.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.03 -32.8 69.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.4 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.55 -44.74 70.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.514 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -63.1 -35.04 78.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.985 0.421 . . . . 0.0 110.016 177.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.61 ' O ' ' HB3' ' B' ' 716' ' ' LYS . 60.2 ttp180 -65.23 -39.8 93.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.759 174.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -61.82 -45.99 95.08 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.765 179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . 0.426 ' O ' ' HB3' ' B' ' 718' ' ' TRP . 93.1 m-85 -88.62 -66.58 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.954 0.377 . . . . 0.0 111.773 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -65.29 -53.53 42.66 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 111.865 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.61 ' HB3' ' O ' ' B' ' 712' ' ' ARG . 58.3 tptt -61.02 -60.17 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.242 -175.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 712' ' ' ARG . 84.6 t -60.86 -43.33 95.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.846 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . 0.426 ' HB3' ' O ' ' B' ' 714' ' ' PHE . 29.2 t90 -59.64 -47.0 87.31 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.168 -0.213 . . . . 0.0 110.949 178.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' B' ' 723' ' ' GLU . 53.3 ttp180 -62.38 -51.96 65.51 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 121.101 -0.239 . . . . 0.0 110.901 -177.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 70.3 mm-40 -59.47 -39.84 85.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 -176.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -73.66 -28.32 61.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.216 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -76.64 -43.49 37.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' B' ' 719' ' ' ARG . 11.4 pt-20 -81.56 -3.64 53.81 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -175.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.6 165.26 11.15 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.045 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 5.3 t80 58.07 53.96 6.31 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.601 176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -77.14 -15.7 59.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.342 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 63.5 mt -103.74 116.5 32.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.565 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -79.76 130.22 35.15 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.279 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 63.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.145 179.003 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -177.29 145.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -136.05 -78.14 0.42 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.064 177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -155.92 124.75 6.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.69 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -91.56 132.24 36.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 96.4 mt -80.09 84.84 5.74 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.333 0.587 . . . . 0.0 110.678 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -89.56 -40.61 12.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.584 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.519 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 49.9 m-85 68.53 -59.85 0.44 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.577 0.751 . . . . 0.0 111.655 -179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 211' ' ' LEU . 34.8 tp -68.56 163.65 23.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 123.121 0.568 . . . . 0.0 111.013 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' B' ' 673' ' ' ILE . 5.5 mt -91.63 139.14 30.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.81 0.338 . . . . 0.0 110.1 173.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 1.6 m -62.96 137.54 58.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.805 174.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -57.9 -22.33 47.88 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 120.754 0.312 . . . . 0.0 111.034 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -53.71 -55.3 27.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.316 172.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -68.16 -37.66 81.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.637 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.55 -52.95 55.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.997 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.37 -32.53 73.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.421 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -60.06 -46.99 87.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.074 176.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.23 -50.85 71.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.549 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 10.1 mp -54.82 -46.54 74.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.106 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.66 -37.99 83.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.956 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 34.7 m -64.01 -46.46 84.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.744 0.307 . . . . 0.0 110.355 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.83 -31.89 72.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.374 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -86.11 -23.46 26.63 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -175.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -100.17 -31.92 11.16 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.492 -177.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 3.1 tt -84.53 87.55 7.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -121.6 148.81 44.05 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.211 178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.029 -179.48 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 120.524 0.202 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -120.06 153.69 35.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.653 0.263 . . . . 0.0 110.755 -178.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -100.47 14.58 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.69 163.02 24.36 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -90.4 86.1 6.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.12 0.486 . . . . 0.0 110.178 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.1 137.79 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.192 177.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.664 ' CE2' ' HA ' ' B' ' 614' ' ' GLU . 11.9 t80 -139.27 97.87 3.39 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -112.0 121.59 45.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.575 -167.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 14.0 t 58.71 32.71 22.47 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.133 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.664 ' HA ' ' CE2' ' B' ' 611' ' ' TYR . 46.0 mt-10 66.46 -0.58 1.48 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.108 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 55.49 19.76 3.35 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 123.296 0.638 . . . . 0.0 112.205 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' B' ' 620' ' ' LEU . 8.1 tp10 -68.9 -50.88 45.73 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -59.76 -36.76 77.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.365 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -58.34 -48.16 81.43 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.057 0.456 . . . . 0.0 109.947 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.68 -32.56 73.31 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.495 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' B' ' 616' ' ' GLU . 92.5 mt -65.62 -44.4 86.62 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.988 0.423 . . . . 0.0 110.481 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -59.46 -49.48 77.62 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.104 177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.0 -50.05 81.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.868 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.7 p -62.82 -40.68 89.63 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' B' ' 624' ' ' LEU . 3.3 mm? -63.64 -45.79 88.64 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.567 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -62.67 -42.94 99.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.453 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.607 HG22 ' HB2' ' B' ' 669' ' ' ALA . 10.7 m -66.79 -39.47 87.78 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 121.304 0.574 . . . . 0.0 110.188 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.499 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.5 t-20 -58.61 -52.14 66.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.365 177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.26 -40.77 91.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.236 -177.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.3 -44.56 88.6 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.408 0.623 . . . . 0.0 110.651 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . . . . . . . . . 24.1 m -69.34 -37.25 77.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.511 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.499 HG12 ' O ' ' B' ' 627' ' ' ASN . 32.8 mm -58.58 -50.16 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.173 174.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -56.23 -50.83 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.81 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.604 ' O ' HG12 ' B' ' 637' ' ' ILE . 9.9 p -65.29 -41.7 92.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.499 -176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.604 ' HB3' HD13 ' B' ' 697' ' ' LEU . 32.6 mt -70.04 -38.09 75.76 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.494 -179.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -59.04 -43.26 91.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.96 0.409 . . . . 0.0 110.586 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -62.48 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.604 HG12 ' O ' ' B' ' 633' ' ' VAL . 48.8 mm -65.35 -46.21 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.914 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -55.45 -48.2 74.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.955 0.407 . . . . 0.0 110.543 178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -63.38 -37.84 88.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.416 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . 0.499 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 26.3 tttp -73.64 -37.28 65.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.425 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' B' ' 644' ' ' LEU . 68.1 mt -69.55 -55.22 10.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 178.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 77.6 p 50.51 30.01 4.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.163 0.585 . . . . 0.0 111.232 -175.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 62.42 91.85 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.621 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.655 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 85.5 mt -94.82 174.01 7.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.626 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.53 ' O ' ' HG3' ' B' ' 649' ' ' GLN . 54.0 p -86.65 172.34 10.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.094 176.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -53.27 -49.85 66.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.657 0.614 . . . . 0.0 112.657 -174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.12 -29.98 71.07 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.655 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.655 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.1 mt-10 -79.43 -34.47 41.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' B' ' 645' ' ' SER . 78.1 mt-30 -66.65 -32.13 73.25 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.227 0.537 . . . . 0.0 110.354 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.95 -32.47 57.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.47 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -73.27 -50.68 20.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.672 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.499 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 77.8 t80 -102.01 102.19 12.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.212 0.53 . . . . 0.0 110.132 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 12.2 ttp180 -126.16 157.3 38.49 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.529 -179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.707 HD12 HD13 ' B' ' 658' ' ' LEU . 1.9 mm? -72.05 91.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.866 0.365 . . . . 0.0 110.298 -178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -123.08 -57.66 1.68 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.785 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -87.95 -50.32 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.348 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . . . . . . . . . 7.9 m -56.59 -50.55 71.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.397 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.707 HD13 HD12 ' B' ' 654' ' ' LEU . 10.9 mp -94.09 74.21 4.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . . . . . . . . . . . -167.23 -147.04 5.12 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.233 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 64.61 -136.38 38.93 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 2.8 m -92.53 -6.35 49.85 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.431 0.634 . . . . 0.0 110.121 176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 7.4 t -93.47 2.3 56.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.725 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' B' ' 664' ' ' VAL . 8.5 pt-20 -63.02 -44.29 96.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . 0.47 ' N ' ' HG3' ' B' ' 663' ' ' GLU . 8.4 p -66.8 -33.73 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.659 -174.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . . . . . . . . . 54.3 mt -61.19 -57.45 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.217 0.532 . . . . 0.0 110.641 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -70.11 -36.26 74.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.034 -176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 70.9 ttt180 -62.88 -52.68 62.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.491 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -63.5 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.057 -177.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.607 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -62.37 -42.18 99.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.458 . . . . 0.0 110.511 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.518 HD12 HD11 ' B' ' 673' ' ' ILE . 21.7 tp -72.75 -32.14 65.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.186 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 56.7 mt-30 -68.55 -25.8 65.1 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 177.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -67.01 -28.91 68.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.575 0.226 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.561 HG21 ' HG2' ' B' ' 703' ' ' LYS . 31.5 pt -100.36 -38.23 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.314 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.499 ' OH ' ' HG3' ' B' ' 699' ' ' ARG . 32.0 m-85 -101.25 28.2 5.59 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -177.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -44.34 -34.73 2.07 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.97 -36.19 64.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -136.91 34.5 2.62 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.01 0.433 . . . . 0.0 111.078 -175.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.19 86.65 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.038 -176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.84 69.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.11 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -79.68 -47.6 15.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.796 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 26.7 mm -62.75 -40.22 87.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.582 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 35.3 mm -61.36 -40.03 84.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.428 177.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.11 -39.62 90.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.315 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -62.38 -47.0 92.7 Favored Glycine 0 N--CA 1.451 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.195 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.575 HD21 HG11 ' B' ' 696' ' ' VAL . 95.2 mt -62.56 -38.21 89.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.184 0.516 . . . . 0.0 110.6 177.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.515 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 13.8 tpt180 -81.62 13.6 3.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.925 -175.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -142.9 -48.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.273 -0.267 . . . . 0.0 111.557 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -128.03 85.67 60.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.002 0.43 . . . . 0.0 110.429 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.439 ' HB3' ' CD2' ' B' ' 654' ' ' LEU . 24.7 Cg_endo -61.1 -54.1 2.07 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.712 2.274 . . . . 0.0 112.815 -176.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . 0.453 ' HB3' ' CD ' ' B' ' 649' ' ' GLN . 23.1 t -69.73 -2.83 12.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -172.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . . . . . . . . . 62.7 mt -100.29 -56.09 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 174.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . . . . . . . . . . . -78.58 -38.23 40.65 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' B' ' 694' ' ' PRO . 50.8 t -54.36 -56.15 29.61 Favored Pre-proline 0 N--CA 1.467 0.424 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -174.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' B' ' 693' ' ' VAL . 11.3 Cg_endo -55.31 -45.57 39.18 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.892 1.728 . . . . 0.0 112.613 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.628 ' O ' ' HG2' ' B' ' 699' ' ' ARG . 18.4 mt -66.96 -54.84 21.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -177.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.575 HG11 HD21 ' B' ' 685' ' ' LEU . 3.1 p -62.5 -35.44 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.851 -176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.604 HD13 ' HB3' ' B' ' 634' ' ' LEU . 53.3 tp -63.65 -41.79 98.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.528 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -67.14 -36.28 81.52 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.905 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' B' ' 695' ' ' ILE . 28.0 mmt180 -62.59 -46.63 87.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.509 0.671 . . . . 0.0 109.531 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 56.5 tp -68.12 -29.79 68.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.382 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' B' ' 697' ' ' LEU . 7.9 tptm -69.21 -45.58 69.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.782 -178.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -70.43 -31.55 68.77 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.98 0.419 . . . . 0.0 110.253 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.561 ' HG2' HG21 ' B' ' 673' ' ' ILE . 7.8 tptp -68.62 -35.99 78.05 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -59.93 -46.49 89.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.173 176.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -62.34 -33.61 75.03 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -69.43 -44.38 71.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.899 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.519 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 4.6 m0 -64.27 -32.92 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.613 0.244 . . . . 0.0 110.602 176.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' B' ' 712' ' ' ARG . 20.9 mmt180 -60.0 -44.46 94.52 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.501 172.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -57.63 -43.57 84.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -62.91 -48.65 78.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.698 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -62.18 -39.56 93.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.844 -179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.645 ' O ' HG23 ' B' ' 717' ' ' VAL . 67.0 mtt180 -61.97 -46.85 87.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.544 177.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -65.23 -47.58 78.97 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.227 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -89.1 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -67.31 -52.72 37.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.957 -172.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' B' ' 720' ' ' GLU . 64.9 tttp -64.21 -53.23 52.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.989 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 712' ' ' ARG . 84.2 t -61.11 -36.64 73.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.375 -177.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -60.32 -46.53 89.56 Favored 'General case' 0 C--N 1.333 -0.127 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.71 -42.07 96.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 178.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' B' ' 724' ' ' LYS . 11.6 mm-40 -68.8 -25.87 64.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.407 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.437 HE21 HG12 ' B' ' 717' ' ' VAL . 46.5 mt-30 -89.55 -33.56 16.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.833 0.349 . . . . 0.0 111.287 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -81.35 -63.33 1.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -174.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -80.49 -15.79 55.87 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.61 -173.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' B' ' 720' ' ' GLU . 95.5 mttt -108.95 167.19 10.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.956 0.408 . . . . 0.0 110.664 177.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -93.06 85.68 5.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.547 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -74.37 158.48 33.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.4 mt -73.77 180.0 3.93 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.789 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.52 15.71 25.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.402 0.62 . . . . 0.0 109.76 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.142 179.194 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.713 0.292 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -165.6 133.38 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.195 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -108.87 -34.38 6.67 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.315 0.579 . . . . 0.0 109.708 177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -149.45 124.76 10.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.54 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -97.83 117.45 32.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.907 0.384 . . . . 0.0 110.458 -179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 92.8 mt -81.27 78.83 8.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.286 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -97.79 -37.08 10.0 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.721 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 43.1 m-85 69.76 -57.92 0.54 Allowed 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.901 0.751 . . . . 0.0 111.972 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 672' ' ' ARG . 45.3 mt -75.06 -172.95 1.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.499 0.666 . . . . 0.0 112.054 -173.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.43 ' HB2' HD11 ' A' ' 216' ' ' ILE . 82.0 mt -126.22 151.52 47.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.219 173.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 63.4 m -68.93 149.58 48.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -48.04 -40.99 24.58 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.021 0.528 . . . . 0.0 112.026 -177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -54.56 -48.11 72.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.72 -36.59 82.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . 0.43 HD11 ' HB2' ' A' ' 211' ' ' LEU . 44.1 mm -62.15 -56.92 14.56 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.448 178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . . . . . . . . . 26.4 tpp -66.62 -30.48 70.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.482 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -56.49 -46.06 80.68 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.978 174.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.657 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 2.2 t70 -59.35 -53.46 57.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.496 179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.82 -50.12 61.46 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.665 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.02 -36.04 83.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . . . . . . . . . 74.3 m -71.32 -35.3 71.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.846 178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 219' ' ' ASP . 90.6 mt -61.4 -36.32 79.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.284 0.564 . . . . 0.0 110.592 176.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -74.45 -32.17 62.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.821 179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 227' ' ' LYS . 58.4 mtpt -90.53 -80.25 0.33 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.537 -178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.593 ' HG ' HG12 ' B' ' 691' ' ' ILE . 0.2 OUTLIER 51.64 48.04 23.64 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.679 0.752 . . . . 0.0 109.72 -172.277 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 225' ' ' LYS . 66.3 mttm -130.21 27.0 5.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.615 -178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.17 -178.462 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -69.72 132.54 46.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.886 0.374 . . . . 0.0 111.016 -175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -61.01 -50.1 74.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.734 -177.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.3 145.82 39.32 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -77.49 112.48 14.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.815 0.34 . . . . 0.0 111.511 -174.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 69.5 mt -85.8 123.28 39.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . 0.471 ' CE2' ' HB2' ' B' ' 615' ' ' ASP . 37.1 t80 -94.48 122.4 37.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.664 0.268 . . . . 0.0 110.484 -176.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 612' ' ' ARG . 35.6 ttm180 -147.79 35.19 0.85 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 614' ' ' GLU . 99.9 m 73.53 162.85 0.26 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 114.565 -1.198 . . . . 0.0 111.443 178.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' B' ' 613' ' ' CYS . 7.5 mm-40 71.12 1.96 4.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.964 -170.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.806 ' HA ' ' HD2' ' B' ' 618' ' ' PHE . 21.7 m-20 -82.28 -2.82 53.82 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.548 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -67.07 -41.83 85.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.079 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -66.17 -33.72 76.41 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.153 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.806 ' HD2' ' HA ' ' B' ' 615' ' ' ASP . 90.1 m-85 -62.16 -40.81 97.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.24 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -63.18 -40.83 98.64 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.554 -0.458 . . . . 0.0 109.962 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.434 ' HA ' HG12 ' B' ' 623' ' ' VAL . 92.7 mt -60.73 -45.43 94.32 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.989 -179.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -65.07 -38.58 91.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.702 0.287 . . . . 0.0 110.979 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.89 -46.7 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.209 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.6 p -68.1 -37.01 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.993 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' B' ' 707' ' ' TRP . 3.2 mm? -67.28 -40.98 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.779 177.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.09 -52.33 65.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.518 HG22 ' HB2' ' B' ' 669' ' ' ALA . 15.6 m -63.63 -33.3 75.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.4 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.567 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.7 t-20 -60.36 -56.41 21.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.187 175.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' B' ' 632' ' ' ARG . 0.2 OUTLIER -58.86 -40.73 85.17 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.415 0.447 . . . . 0.0 110.529 -178.02 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.21 90.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.222 0.534 . . . . 0.0 110.723 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.491 HG22 HD23 ' B' ' 634' ' ' LEU . 28.3 m -70.29 -34.29 72.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.376 178.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.567 HG12 ' O ' ' B' ' 627' ' ' ASN . 38.6 mm -58.04 -48.2 84.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 173.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' B' ' 628' ' ' LEU . 63.0 mtt180 -55.26 -54.76 39.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.226 179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.5 ' O ' HG12 ' B' ' 637' ' ' ILE . 12.1 p -66.05 -38.12 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.869 -0.332 . . . . 0.0 111.345 -177.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 0.956 ' HB3' HD13 ' B' ' 697' ' ' LEU . 2.3 mm? -63.84 -47.85 79.13 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 122.527 -0.108 . . . . 0.0 111.245 178.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -59.14 -37.34 77.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.405 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -66.75 -49.19 66.73 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.5 HG12 ' O ' ' B' ' 633' ' ' VAL . 50.9 mm -63.31 -46.78 94.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.451 178.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -56.64 -42.43 78.89 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.264 179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . . . . . . . . . 47.9 tttp -71.45 -40.07 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . 0.474 ' HD3' ' CZ ' ' B' ' 652' ' ' PHE . 40.7 tttm -69.15 -30.08 68.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.028 0.442 . . . . 0.0 110.016 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . . . . . . . . . 70.2 mt -73.83 -70.1 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.768 176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 66.4 m 50.28 40.92 23.54 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.029 -175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 61.51 92.24 0.05 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.321 -176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.767 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 89.3 mt -91.2 154.2 19.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.08 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.46 ' O ' ' HG2' ' B' ' 649' ' ' GLN . 7.7 m -67.77 168.57 11.18 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 174.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -49.92 -53.16 27.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.728 0.299 . . . . 0.0 111.705 -178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -65.45 -33.91 77.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.139 -178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.767 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 46.2 mt-10 -71.21 -42.23 69.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.172 -176.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.54 ' HB2' ' HG2' ' B' ' 689' ' ' PRO . 11.8 pt20 -79.28 -21.91 45.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.088 0.47 . . . . 0.0 111.013 -178.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -75.6 -26.79 58.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.182 0.515 . . . . 0.0 109.636 170.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -75.73 -51.89 11.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.981 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' B' ' 640' ' ' LYS . 58.6 t80 -102.23 98.51 8.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.614 174.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' B' ' 686' ' ' ARG . 10.4 ttp180 -116.14 148.84 39.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.447 -177.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . 0.469 HD23 HD21 ' B' ' 658' ' ' LEU . 6.6 mp -78.66 141.16 38.19 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.964 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . 0.432 ' H ' HG22 ' B' ' 657' ' ' THR . 44.3 t0 -172.99 -80.78 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -94.22 -9.65 35.53 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.344 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . 0.432 HG22 ' H ' ' B' ' 655' ' ' ASP . 8.8 t -70.52 -3.57 18.58 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.208 0.528 . . . . 0.0 110.787 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.469 HD21 HD23 ' B' ' 654' ' ' LEU . 97.6 mt -89.68 2.96 54.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.588 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' B' ' 663' ' ' GLU . . . 126.93 126.06 2.88 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.061 178.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . -64.43 -35.7 92.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.399 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 13.7 t -128.77 -18.21 3.89 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.415 0.626 . . . . 0.0 109.51 173.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . 0.422 ' HB3' HD11 ' B' ' 665' ' ' ILE . 6.6 m -84.19 9.14 13.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.972 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' B' ' 659' ' ' GLY . 11.7 pt-20 -63.42 -41.59 98.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.668 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.0 -41.91 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.832 -174.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.422 HD11 ' HB3' ' B' ' 662' ' ' SER . 19.3 pt -66.12 -45.36 90.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.477 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -67.03 -45.8 76.39 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.36 0.6 . . . . 0.0 109.945 -178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.821 ' HG3' HG12 ' B' ' 682' ' ' ILE . 43.6 ttm180 -58.92 -51.58 69.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.312 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' B' ' 672' ' ' ARG . 27.5 ttpt -62.4 -36.25 81.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.421 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . 0.518 ' HB2' HG22 ' B' ' 626' ' ' THR . . . -60.86 -43.44 98.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.829 0.347 . . . . 0.0 110.438 177.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . . . . . . . . . 24.7 tp -71.9 -27.34 62.77 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.341 0.591 . . . . 0.0 110.265 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.708 ' HG2' ' HB1' ' B' ' 678' ' ' ALA . 93.0 mt-30 -72.82 -23.87 60.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.493 179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.554 ' O ' HD23 ' A' ' 210' ' ' LEU . 52.9 mtp180 -73.41 -6.65 47.62 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.621 179.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.752 HG21 ' HG3' ' B' ' 703' ' ' LYS . 35.0 pt -115.63 -35.19 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.646 175.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.74 32.19 4.03 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.683 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -34.89 -58.49 0.52 Allowed 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -63.48 -42.62 98.55 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.468 ' HD3' ' HA ' ' B' ' 677' ' ' LYS . 64.9 mmtt -109.53 31.05 6.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.005 0.431 . . . . 0.0 111.294 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . 0.708 ' HB1' ' HG2' ' B' ' 671' ' ' GLN . . . -56.94 -35.39 69.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.535 -178.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -65.24 -45.77 83.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.992 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -72.23 -41.24 67.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.207 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . 0.404 HG12 ' O ' ' B' ' 677' ' ' LYS . 44.6 mm -63.87 -46.49 94.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.938 0.399 . . . . 0.0 110.712 -178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . 0.821 HG12 ' HG3' ' B' ' 667' ' ' ARG . 1.8 mp -66.02 -36.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.059 178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.71 -41.7 98.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.233 175.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -63.39 -37.88 95.52 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.505 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.86 HD21 HG21 ' B' ' 696' ' ' VAL . 93.8 mt -59.71 -38.03 80.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.442 0.639 . . . . 0.0 110.713 175.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.572 ' O ' ' HD2' ' B' ' 653' ' ' ARG . 37.4 mtp-105 -88.77 18.57 4.62 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.548 -176.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' B' ' 687' ' ' LYS . 32.7 ttmt -140.18 -57.7 0.55 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 -175.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . 0.44 HD22 HD12 ' B' ' 691' ' ' ILE . 8.0 m-20 -121.15 80.18 35.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.353 -178.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.54 ' HG2' ' HB2' ' B' ' 649' ' ' GLN . 56.6 Cg_endo -71.11 -36.13 7.79 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.65 2.233 . . . . 0.0 113.075 -174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 33.6 m -73.36 -0.95 16.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.593 HG12 ' HG ' ' A' ' 226' ' ' LEU . 81.0 mt -117.3 -57.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.055 -179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.455 ' O ' HG22 ' B' ' 696' ' ' VAL . . . -72.55 -45.61 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -173.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' B' ' 696' ' ' VAL . 74.7 t -54.35 -50.51 84.57 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -174.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.516 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 80.8 Cg_exo -51.77 -45.54 37.61 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 121.623 1.549 . . . . 0.0 112.545 176.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 223' ' ' LEU . 19.4 mt -70.33 -48.68 59.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.762 -176.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.86 HG21 HD21 ' B' ' 685' ' ' LEU . 27.2 m -66.16 -41.24 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.558 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 0.956 HD13 ' HB3' ' B' ' 634' ' ' LEU . 33.2 tp -66.59 -37.17 84.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.43 . . . . 0.0 110.039 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 694' ' ' PRO . 34.8 ttmt -68.21 -43.31 78.29 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.54 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -67.52 -36.37 80.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.209 0.528 . . . . 0.0 109.621 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . . . . . . . . . 63.0 tp -66.88 -34.89 78.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.525 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' B' ' 704' ' ' GLU . 2.1 tptm -70.5 -33.22 70.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.011 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . . . . . . . . . 50.7 ttp -64.05 -40.36 96.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.261 0.553 . . . . 0.0 109.574 172.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.752 ' HG3' HG21 ' B' ' 673' ' ' ILE . 64.0 mmtt -70.56 -32.65 70.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.038 176.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' B' ' 708' ' ' ARG . 30.8 tt0 -53.56 -50.36 65.71 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 172.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' B' ' 709' ' ' GLU . 25.4 mm-40 -55.61 -53.67 53.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.968 175.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.26 -52.62 62.81 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 123.642 0.589 . . . . 0.0 111.393 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.721 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 11.0 m0 -67.78 -35.0 77.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.537 -178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' B' ' 704' ' ' GLU . 0.0 OUTLIER -64.46 -50.03 69.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.423 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 705' ' ' GLU . 12.3 pt-20 -70.59 -30.3 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.747 -178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.13 75.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 0.0 110.309 174.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -66.58 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.322 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.666 ' HA ' ' HB2' ' B' ' 716' ' ' LYS . 28.5 ttm180 -67.52 -41.55 84.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.699 176.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -71.76 -40.15 58.76 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.839 179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -88.78 -64.2 1.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -76.16 -49.62 16.78 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.666 ' HB2' ' HA ' ' B' ' 712' ' ' ARG . 0.0 OUTLIER -58.77 -48.42 81.3 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 -176.215 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.646 ' O ' ' HG3' ' B' ' 721' ' ' GLN . 73.8 t -61.05 -45.67 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.665 176.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -55.52 -45.72 77.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.818 178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.64 -35.32 80.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.672 0.273 . . . . 0.0 111.024 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' B' ' 716' ' ' LYS . 7.6 mm-40 -63.47 -50.13 70.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.293 176.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . 0.646 ' HG3' ' O ' ' B' ' 717' ' ' VAL . 27.8 mt-30 -69.74 -20.74 63.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.355 -178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -81.18 -66.43 0.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.968 -179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -72.32 -43.54 64.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.512 -175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . 0.811 ' HG2' ' HG ' ' B' ' 727' ' ' LEU . 45.9 tptt -89.03 101.85 14.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.413 0.625 . . . . 0.0 110.556 -175.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.49 -20.23 60.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.47 -177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -95.88 14.69 22.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.673 -175.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . 0.811 ' HG ' ' HG2' ' B' ' 724' ' ' LYS . 30.2 mt -101.53 7.21 42.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.519 0.676 . . . . 0.0 109.67 170.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -101.69 133.16 46.83 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.473 178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 21.1 p . . . . . 0 C--O 1.253 1.24 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.591 -179.763 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.476 0.832 0 CA-C-O 120.903 0.383 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -115.69 -37.15 4.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.707 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.63 92.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.52 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . . . . . . . . . . . -139.87 127.01 21.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.13 178.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -78.55 102.27 7.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.308 0.575 . . . . 0.0 109.649 176.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' LEU . . . . . . . . . . . . . 66.2 mt -83.63 102.67 12.37 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.844 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -79.71 89.48 5.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.93 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.665 ' HD1' ' HE1' ' B' ' 707' ' ' TRP . 51.0 m-85 -68.13 -45.18 74.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.492 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' B' ' 672' ' ' ARG . 42.2 tp -68.08 160.17 29.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.173 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.464 ' HG ' ' HB ' ' B' ' 673' ' ' ILE . 71.8 mt -99.29 137.7 37.44 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 172.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' THR . . . . . . . . . . . . . 7.6 p -62.36 142.59 57.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.934 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.64 -33.0 44.76 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.949 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -54.55 -48.56 71.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.61 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -71.62 -34.47 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.736 -178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' ILE . . . . . . . . . . . . . 45.0 mm -58.0 -52.23 60.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 110.499 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' MET . . . . . 0.507 ' O ' ' HG3' ' A' ' 221' ' ' ARG . 0.8 OUTLIER -65.08 -36.87 85.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.719 178.429 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -60.65 -44.35 96.51 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.414 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 223' ' ' LEU . 51.0 m-20 -62.99 -43.85 97.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.833 177.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' LEU . . . . . 0.722 HD11 ' HG2' ' B' ' 677' ' ' LYS . 41.2 mt -60.03 -39.25 85.24 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.248 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 217' ' ' MET . 87.5 mtt180 -60.35 -47.65 85.16 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.487 0.661 . . . . 0.0 109.916 175.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 226' ' ' LEU . 22.4 m -65.51 -29.19 69.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.481 -175.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . 0.58 HD23 HD12 ' B' ' 695' ' ' ILE . 94.2 mt -66.38 -15.06 62.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.823 0.344 . . . . 0.0 111.424 178.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -112.35 -55.11 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.239 0.542 . . . . 0.0 110.228 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -94.86 20.4 8.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.552 -173.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . 0.456 HD22 HG23 ' B' ' 691' ' ' ILE . 67.7 tp -39.42 107.07 0.06 Allowed 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.575 0.547 . . . . 0.0 111.541 177.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -132.24 64.05 1.61 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.681 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.925 -179.439 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 605' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.569 0.223 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 606' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -86.58 97.59 10.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.965 0.412 . . . . 0.0 110.697 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 607' ' ' ALA . . . . . . . . . . . . . . . -99.03 -10.59 22.43 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 608' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -67.04 157.1 34.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.843 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 609' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -87.23 97.97 11.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.224 0.535 . . . . 0.0 111.683 -176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 57.8 mt -108.51 97.33 5.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.268 175.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 611' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -99.54 134.09 42.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.328 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 612' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -128.42 -176.43 3.82 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.247 178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 613' ' ' CYS . . . . . . . . . . . . . 88.6 m -101.68 153.32 19.88 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 170.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 614' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' B' ' 615' ' ' ASP . 52.5 mm-40 -83.03 -160.73 0.43 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.189 0.518 . . . . 0.0 110.236 173.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 615' ' ' ASP . . . . . 0.994 ' HA ' ' HD2' ' B' ' 618' ' ' PHE . 6.6 p-10 -78.75 19.67 0.5 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.02 -174.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 616' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -65.58 -48.82 71.04 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 617' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' B' ' 617' ' ' ARG . 9.8 ttt180 -61.66 -33.18 73.52 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.826 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 618' ' ' PHE . . . . . 0.994 ' HD2' ' HA ' ' B' ' 615' ' ' ASP . 83.3 m-85 -64.25 -39.07 93.19 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.036 -175.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 619' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -70.78 -39.11 73.36 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.11 -0.636 . . . . 0.0 109.624 175.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 620' ' ' LEU . . . . . 0.52 ' HA ' HG12 ' B' ' 623' ' ' VAL . 97.0 mt -62.41 -46.3 89.21 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.071 0.462 . . . . 0.0 110.712 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 621' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.03 -46.54 85.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.729 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 622' ' ' VAL . . . . . . . . . . . . . 70.6 t -67.15 -51.04 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.787 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 623' ' ' VAL . . . . . 0.52 HG12 ' HA ' ' B' ' 620' ' ' LEU . 14.5 p -62.74 -38.06 80.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.21 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.084 -175.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 624' ' ' LEU . . . . . 0.492 ' HG ' ' OE1' ' B' ' 711' ' ' GLN . 1.9 mm? -66.59 -42.09 87.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.738 0.304 . . . . 0.0 110.611 177.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 625' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -63.39 -48.74 76.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.397 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 626' ' ' THR . . . . . 0.662 HG23 ' HB ' ' B' ' 665' ' ' ILE . 26.8 m -60.23 -39.36 86.43 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.292 0.568 . . . . 0.0 110.315 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 627' ' ' ASN . . . . . 0.5 ' O ' HG12 ' B' ' 631' ' ' ILE . 3.8 t-20 -60.15 -57.73 11.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.407 177.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 628' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.6 -30.95 70.14 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 629' ' ' ALA . . . . . . . . . . . . . . . -62.5 -49.42 75.44 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.231 0.539 . . . . 0.0 109.927 174.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 630' ' ' THR . . . . . 0.504 HG22 HD23 ' B' ' 634' ' ' LEU . 28.5 m -67.12 -38.13 85.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.854 178.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 631' ' ' ILE . . . . . 0.56 HD12 ' HD2' ' B' ' 701' ' ' LYS . 32.1 mm -55.41 -55.12 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.037 0.446 . . . . 0.0 110.762 176.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 632' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -63.1 -40.85 98.85 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.703 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 633' ' ' VAL . . . . . 0.623 ' O ' HG12 ' B' ' 637' ' ' ILE . 7.9 p -69.92 -37.08 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.524 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 634' ' ' LEU . . . . . 1.026 ' HB3' HD13 ' B' ' 697' ' ' LEU . 1.4 mm? -62.0 -50.07 73.51 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.636 0.255 . . . . 0.0 110.857 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 635' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' B' ' 639' ' ' LYS . 46.0 mt-10 -58.2 -42.4 86.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.597 178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 636' ' ' ALA . . . . . . . . . . . . . . . -59.75 -46.94 87.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' ILE . . . . . 0.623 HG12 ' O ' ' B' ' 633' ' ' VAL . 43.9 mm -61.35 -45.66 98.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.934 -179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -59.95 -37.59 80.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.78 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' B' ' 635' ' ' GLU . 68.3 mttm -66.28 -46.7 76.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.681 178.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -66.54 -28.48 68.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' LEU . . . . . 0.489 ' CD1' ' HB2' ' B' ' 689' ' ' PRO . 86.8 mt -75.22 -58.6 3.18 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' SER . . . . . . . . . . . . . 57.0 m 60.41 26.63 16.2 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.092 -174.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 61.38 89.08 0.08 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.298 -174.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' LEU . . . . . 0.742 ' HB3' ' HB2' ' B' ' 648' ' ' GLU . 94.9 mt -85.83 162.04 18.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.142 -178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 2.0 m -80.39 173.96 12.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.947 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 646' ' ' ALA . . . . . . . . . . . . . . . -54.58 -48.76 71.74 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 647' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.79 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.118 0.485 . . . . 0.0 110.766 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 648' ' ' GLU . . . . . 0.742 ' HB2' ' HB3' ' B' ' 644' ' ' LEU . 44.0 mt-10 -75.31 -28.7 59.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.698 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 649' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' B' ' 653' ' ' ARG . 27.6 mt-30 -71.49 -31.73 67.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 0.0 110.265 174.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 650' ' ' ALA . . . . . . . . . . . . . . . -76.02 -30.84 58.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.357 175.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 651' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -75.18 -59.54 2.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.434 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 652' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -110.02 99.97 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 653' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' B' ' 686' ' ' ARG . 43.7 ttm180 -120.49 158.6 26.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.478 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 52.5 mt -80.82 133.5 35.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.528 -176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 655' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -162.58 -79.4 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.77 173.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 656' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -81.01 -12.71 59.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.723 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 657' ' ' THR . . . . . 0.605 ' HB ' HD12 ' B' ' 658' ' ' LEU . 0.0 OUTLIER -55.79 -45.36 78.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.578 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.605 HD12 ' HB ' ' B' ' 657' ' ' THR . 4.9 mp -113.53 -9.86 13.23 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 659' ' ' GLY . . . . . 0.988 ' HA2' ' HG2' ' B' ' 663' ' ' GLU . . . -85.27 -176.09 50.56 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.59 -0.732 . . . . 0.0 113.068 -174.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 660' ' ' GLY . . . . . . . . . . . . . . . 105.86 -142.36 15.56 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.52 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 661' ' ' THR . . . . . . . . . . . . . 1.9 m -72.02 -25.7 61.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.204 0.526 . . . . 0.0 110.658 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 662' ' ' SER . . . . . . . . . . . . . 22.4 m -91.77 2.25 56.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.706 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 663' ' ' GLU . . . . . 0.988 ' HG2' ' HA2' ' B' ' 659' ' ' GLY . 0.5 OUTLIER -65.98 -39.24 90.17 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 178.619 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 664' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.21 -40.74 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.997 -175.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 665' ' ' ILE . . . . . 0.662 ' HB ' HG23 ' B' ' 626' ' ' THR . 37.4 pt -71.6 -35.45 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.935 -178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 666' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -72.8 -44.56 61.35 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 667' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' B' ' 671' ' ' GLN . 4.7 tpp180 -59.12 -54.43 47.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.589 177.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 668' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -62.11 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.442 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 669' ' ' ALA . . . . . . . . . . . . . . . -63.55 -38.23 90.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.914 0.388 . . . . 0.0 110.569 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 670' ' ' LEU . . . . . 0.65 HD12 HD11 ' B' ' 673' ' ' ILE . 13.6 tp -72.76 -28.98 62.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.136 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 671' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' B' ' 667' ' ' ARG . 50.0 mt-30 -75.9 -24.81 55.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.305 178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 672' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 210' ' ' LEU . 64.1 mtp180 -76.46 -10.96 59.78 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.268 -0.573 . . . . 0.0 111.001 177.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.65 HD11 HD12 ' B' ' 670' ' ' LEU . 21.4 pt -114.32 -37.28 2.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.594 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 674' ' ' TYR . . . . . 0.42 ' CD2' HG13 ' B' ' 673' ' ' ILE . 80.2 m-85 -108.13 33.26 4.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.461 -0.149 . . . . 0.0 110.64 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 675' ' ' ALA . . . . . . . . . . . . . . . -36.12 -52.21 0.77 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 676' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -86.66 -7.29 58.44 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -171.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 677' ' ' LYS . . . . . 0.722 ' HG2' HD11 ' A' ' 220' ' ' LEU . 20.3 tptt -150.78 37.83 0.66 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.207 0.527 . . . . 0.0 110.721 -173.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 678' ' ' ALA . . . . . . . . . . . . . . . -76.27 -38.66 55.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.988 -176.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 679' ' ' ALA . . . . . . . . . . . . . . . -57.84 -38.86 76.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.194 -177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 680' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.39 -23.72 63.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.509 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 681' ' ' ILE . . . . . . . . . . . . . 42.1 mm -79.81 -44.59 23.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 682' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.35 -41.25 86.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 683' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.36 -41.31 75.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.661 175.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 684' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.23 52.77 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.513 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 685' ' ' LEU . . . . . 0.697 HD21 HG11 ' B' ' 696' ' ' VAL . 94.4 mt -60.14 -43.04 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.914 0.388 . . . . 0.0 111.62 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 686' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' B' ' 653' ' ' ARG . 10.5 mpt_? -86.67 17.9 3.68 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.571 -177.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 687' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -138.2 -50.94 0.58 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.672 0.272 . . . . 0.0 111.133 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 688' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -126.71 79.62 71.57 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.551 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 689' ' ' PRO . . . . . 0.489 ' HB2' ' CD1' ' B' ' 641' ' ' LEU . 53.9 Cg_endo -69.44 -19.29 37.86 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.572 2.181 . . . . 0.0 112.9 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 690' ' ' SER . . . . . . . . . . . . . 21.5 t -76.3 -17.71 59.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.2 0.524 . . . . 0.0 109.763 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 691' ' ' ILE . . . . . 0.456 HG23 HD22 ' A' ' 226' ' ' LEU . 45.9 mt -104.25 -63.18 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.063 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 692' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 223' ' ' LEU . . . -66.65 -43.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -171.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 693' ' ' VAL . . . . . 0.696 ' HB ' ' HD3' ' B' ' 694' ' ' PRO . 81.0 t -55.77 -57.18 22.94 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 119.299 -0.381 . . . . 0.0 111.586 -176.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 694' ' ' PRO . . . . . 0.696 ' HD3' ' HB ' ' B' ' 693' ' ' VAL . 84.8 Cg_exo -49.88 -50.4 13.35 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 122.441 2.094 . . . . 0.0 113.089 177.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 695' ' ' ILE . . . . . 0.58 HD12 HD23 ' A' ' 223' ' ' LEU . 47.9 mt -62.86 -57.31 12.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.33 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 696' ' ' VAL . . . . . 0.697 HG11 HD21 ' B' ' 685' ' ' LEU . 1.4 p -63.32 -34.79 69.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.584 -174.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 697' ' ' LEU . . . . . 1.026 HD13 ' HB3' ' B' ' 634' ' ' LEU . 37.0 tp -62.29 -47.98 81.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 176.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 698' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -60.03 -43.14 95.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.71 0.291 . . . . 0.0 111.115 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 699' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' B' ' 702' ' ' MET . 21.5 tpp180 -61.69 -40.75 96.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.39 0.614 . . . . 0.0 109.924 177.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 700' ' ' LEU . . . . . 0.527 ' HG ' ' CD1' ' B' ' 631' ' ' ILE . 32.8 tp -71.41 -35.96 71.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.69 -178.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 701' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' B' ' 697' ' ' LEU . 32.3 mmmt -67.72 -41.12 84.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.299 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 702' ' ' MET . . . . . 0.509 ' HG3' ' O ' ' B' ' 699' ' ' ARG . 0.0 OUTLIER -70.41 -32.45 70.07 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.022 179.553 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 703' ' ' LYS . . . . . 0.437 ' HD3' HD21 ' A' ' 211' ' ' LEU . 7.4 tptm -72.48 -36.22 68.38 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 704' ' ' GLU . . . . . 0.443 ' OE1' HG21 ' B' ' 631' ' ' ILE . 4.2 tt0 -54.47 -52.52 61.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.261 0.553 . . . . 0.0 110.213 173.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 705' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.05 -46.31 78.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 706' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.89 -45.75 92.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 707' ' ' TRP . . . . . 0.665 ' HE1' ' HD1' ' A' ' 209' ' ' TYR . 3.6 m0 -62.62 -44.78 95.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.335 178.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 708' ' ' ARG . . . . . . . . . . . . . 14.7 mmt180 -61.93 -41.08 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.772 -0.194 . . . . 0.0 110.866 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 709' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -63.39 -39.13 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.816 0.341 . . . . 0.0 110.909 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 710' ' ' ALA . . . . . . . . . . . . . . . -69.16 -45.28 70.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.382 177.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 711' ' ' GLN . . . . . 0.492 ' OE1' ' HG ' ' B' ' 624' ' ' LEU . 1.1 tt0 -60.35 -39.78 88.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.066 177.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 712' ' ' ARG . . . . . 0.52 ' HA ' ' CB ' ' B' ' 716' ' ' LYS . 23.7 ttm180 -63.64 -49.18 74.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.459 175.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 713' ' ' GLY . . . . . . . . . . . . . . . -60.41 -43.49 98.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.941 -177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 714' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -87.21 -65.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.738 0.304 . . . . 0.0 111.608 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 715' ' ' ASN . . . . . 0.403 ' ND2' ' HG3' ' B' ' 617' ' ' ARG . 11.0 m120 -78.06 -51.54 10.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.067 -167.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 716' ' ' LYS . . . . . 0.52 ' CB ' ' HA ' ' B' ' 712' ' ' ARG . 14.2 tmtt? -59.79 -49.32 78.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.472 -175.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 717' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 712' ' ' ARG . 69.5 t -63.64 -50.11 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 178.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 718' ' ' TRP . . . . . . . . . . . . . 71.7 t90 -53.17 -42.81 66.55 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.092 0.472 . . . . 0.0 110.248 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 719' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -61.4 -54.52 42.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.112 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 720' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' B' ' 724' ' ' LYS . 19.7 pt-20 -74.41 -14.36 60.85 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 721' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -87.94 -42.24 12.61 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.33 178.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 722' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -82.27 -59.32 2.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.776 0.322 . . . . 0.0 111.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 723' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -67.25 -49.2 65.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.254 0.55 . . . . 0.0 110.773 -175.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 724' ' ' LYS . . . . . 0.488 ' HB3' ' O ' ' B' ' 720' ' ' GLU . 87.1 tttt -88.81 136.58 32.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.011 -178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 725' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -111.56 87.05 2.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.131 0.491 . . . . 0.0 110.145 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 726' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -127.25 107.87 10.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.904 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 727' ' ' LEU . . . . . . . . . . . . . 85.2 mt -92.42 105.62 17.77 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.268 0.556 . . . . 0.0 110.486 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 728' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -96.25 -65.27 0.98 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.321 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 729' ' ' SER . . . . . . . . . . . . . 73.2 m . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.264 176.698 . . . . . . . . 0 0 . 1 stop_ save_